Characteristic display device, characteristic display method and program

Abstract

A characteristics display device (1) comprising: a search content acquisition unit (11) that obtains a plurality of search variables and a plurality of search data; a characteristics value acquisition unit (14) that obtains the characteristics value for a compound corresponding to the plurality of search data; a priority setting unit (15) that sets the priority for the plurality of search variables; a display format determination unit (16) that determines the display format for compound characteristics, by allocating search variables having a high priority to a coordinate axes A1, A2 of a color map Ma and allocating search variables having a lower priority than the high priority search variables to array direction axes A3, A4 of a first array map Mb1; and an image processing unit (17) that generates at least one first array map Mb1 as one image, on the basis of the search data, the characteristic values, and the display format.

Description

Characteristic display device, characteristic display method, and program

[0001] The present disclosure relates to a property display device that displays the properties of a compound, a property display method, and a program for executing the property display method.

[0002] In conventional materials development, in order to search for a composition formula or process conditions of a compound having desired properties, experiments have been conducted by changing the compounding ratio of raw materials, etc., to identify a composition formula or process conditions having good properties. For example, the following method has been disclosed to display the difference in properties when the composition formula or process conditions of a compound are changed.

[0003] Patent Document 1 discloses a method for displaying material properties on a ternary diagram when the composition of a composition formula is changed. Patent Document 2 discloses a method for displaying properties by arranging multiple data shown in pie charts in a matrix. Patent Document 3 discloses a method for inputting the blending ratios of a huge number of raw materials and outputting the blending ratios that have target properties.

[0004] In recent years, a technique has been developed to predict the material properties of any composition formula using a predictor obtained by machine learning. For example, Non-Patent Document 1 discloses a method for predicting the thermodynamic stability of perovskite-based materials using a neural network.

[0005] Furthermore, Non-Patent Document 2 discloses a method for predicting the probability that a compound will exhibit high ionic conductivity. Non-Patent Document 3 discloses a method for calculating the diffusion coefficient of ions.

[0006] Japanese Patent No. 6,632,412 U.S. Patent No. 7,199,809 Japanese Patent No. 4,009,670

[0007] Jonathan Schmidt et. al. “Predicting the Thermodynamic Stability of Solids Combining Density Functional Theory and Machine Learning” Chemistry of Materials, 29(12), 5090-5103 (2017) Austin D. Sendek et. al. “Holistic computational structure screening of more than 12000 candidates for solid lithium-ion conductor materials” Energy & Environmental Science, 10(1), 306-320 (2017) Xingfeng He et. al. “Statistical variables of diffusional properties from ab initio molecular dynamics simulations” npj Computational Materials, 4(1), 1-9 (2018)

[0008] However, the above-mentioned conventional techniques have a limited number of search variables for searching for the composition formula or process conditions of a compound, and the display method is a method for displaying local data, making it difficult to grasp the overall picture of the properties of a compound when the composition of the compound is changed.

[0009] An object of the present disclosure is to provide a property display device, a property display method, and a program that enable recognition of the overall picture of the properties of a compound when the structure of the compound is changed.

[0010] A property display device according to one embodiment of the present disclosure includes a search content acquisition unit that acquires a plurality of search variables that determine the structure of a compound when changing the structure of the compound to search for its properties, and a plurality of search data indicating the values ​​or ranges taken by the plurality of search variables; a property value acquisition unit that acquires property values ​​of the compound corresponding to the plurality of search data; a priority setting unit that sets the priorities of the plurality of search variables; a display format determination unit that determines a display format for the properties of the compound by assigning a search variable with a higher priority among the plurality of search variables to a coordinate axis of a color map that indicates the properties of the compound, and assigning a search variable with a lower priority than the high-priority search variable to an array direction axis of a first array map composed of a plurality of color maps arranged; and an image processing unit that generates at least one of the first array maps as a single image based on the search data, the property values, and the display format.

[0011] A property display device according to one embodiment of the present disclosure comprises: a search content acquisition unit that acquires a plurality of search variables that determine the structure of a compound when changing the structure of the compound to search for the properties of the compound, and a plurality of search data that indicate the values ​​or ranges that the plurality of search variables take; and an image processing unit that generates an image that indicates the properties of the compound in a manner in which a search variable with a high priority among the plurality of search variables is assigned to a coordinate axis of a color map that indicates the properties of the compound, and in which a search variable with a lower priority than the high-priority search variable is assigned to an array direction axis of a first array map that is composed of a plurality of color maps arranged.

[0012] A characteristic display device according to one embodiment of the present disclosure includes a priority setting unit that sets the priorities of multiple search variables that determine the configuration of a compound when changing the configuration of the compound to search for the characteristics of the compound; a display format determination unit that determines the display format of the characteristics by assigning a search variable with a high priority among the multiple search variables to a coordinate axis of a color map that shows the characteristics of the compound and assigning a search variable with a lower priority than the high-priority search variable to an array direction axis of a first array map that is composed of a plurality of color maps arranged; and an image processing unit that generates at least one of the first array maps as a single image based on the display format.

[0013] A characteristic display method according to one aspect of the present disclosure includes the steps of acquiring a plurality of search variables that determine the structure of a compound when changing the structure of the compound to search for its properties, and a plurality of search data indicating the values ​​or ranges taken by the plurality of search variables; acquiring characteristic values ​​of the compound corresponding to the plurality of search data; setting priorities of the plurality of search variables; determining a display format for the characteristics by assigning a search variable with a higher priority among the plurality of search variables to a coordinate axis of a color map indicating the properties of the compound, and assigning a search variable with a lower priority than the high-priority search variable to an array direction axis of a first array map composed of a plurality of color maps; and generating at least one of the first array maps as a single image based on the search data, the characteristic values, and the display format.

[0014] A program according to one aspect of the present disclosure is a program for causing a computer to execute a process, the process including the steps of: acquiring a plurality of search variables that determine the structure of a compound when changing the structure of the compound to search for its properties, and a plurality of search data indicating values ​​or ranges taken by the plurality of search variables; acquiring characteristic values ​​of the compound corresponding to the plurality of search data; setting priorities of the plurality of search variables; determining a display format of the characteristics by assigning a search variable with a higher priority among the plurality of search variables to a coordinate axis of a color map indicating the properties of the compound, and assigning a search variable with a lower priority than the high-priority search variable to an array direction axis of a first array map composed of a plurality of color maps; and generating at least one of the first array maps as a single image based on the search data, the characteristic values, and the display format.

[0015] These comprehensive or specific aspects may be realized as an apparatus, a system, a method, an integrated circuit, a computer program, or a computer-readable recording medium, or as any combination of an apparatus, a system, a method, an integrated circuit, a computer program, and a recording medium. Computer-readable recording media include non-volatile recording media such as CD-ROMs (Compact Disc-Read Only Memory).

[0016] The property display device and the like of the present disclosure make it possible to recognize the overall picture of the properties of a compound when the structure of the compound is changed. Further advantages and effects of one aspect of the present disclosure will become apparent from the specification and drawings. Such advantages and / or effects are provided by each of the features described in some embodiments and the specification and drawings, but not all of them necessarily need to be provided in order to obtain one or more identical features.

[0017] 1 is a block diagram showing the functional configuration of a property display system including a property display device according to embodiment 1. FIG. 1 is a diagram showing an example of search content for a compound input to the property display device according to embodiment 1. FIG. 2 is a diagram showing another example of search content for a compound input to the property display device according to embodiment 1. FIG. 3 is a diagram showing an example of search data after combination generated based on the search content. FIG. 4 is a diagram showing an example of search data and property values ​​after combination. FIG. 5 is a diagram showing an example of priorities set for search variables included in the search content. FIG. 6 is a diagram showing a color map and a first array map used when displaying the properties of a compound. FIG. 7 is a diagram showing an example in which search variables are assigned to the coordinate axes of the color map and the array direction axes of the first array map. FIG. 8 is a diagram showing an image in which continuous variables are assigned to the coordinate axes of the color map. FIG. 9 is a diagram showing a predetermined color map in the first array map, and some search data and property values ​​corresponding to the predetermined color map. FIG. 10 is a diagram showing an example of an image displayed by the property display device according to embodiment 1. FIG. 11 is a flowchart showing an example of the processing operation of a display unit included in the property display device and property display system according to embodiment 1. FIG. 12 is a diagram showing an example of search content input to the property display device according to variation 1 of embodiment 1. FIG. 13 is a diagram showing an example of an image displayed by the property display device according to variation 1 of embodiment 1. FIG. 14 is a diagram showing another example of an image displayed by the property display device according to variation 1 of embodiment 1. FIG. 1 is a diagram showing an example of an image displayed on the property display device according to Modification 2 of Embodiment 1. FIG. 2 is a diagram showing an example of search content input to the property display device according to Modification 3 of Embodiment 1. FIG. 3 is a diagram showing an example of the priority of search variables in Modification 3 of Embodiment 1. FIG. 4 is a diagram showing an example of assigning search variables to the coordinate axes of a color map and the array direction axes of a first array map in Modification 3 of Embodiment 1. FIG. 5 is a block diagram showing the functional configuration of a property display system including a property display device according to Embodiment 2. FIG. 6 is a diagram showing an example of a scene in which the display format of the properties of a compound is corrected in the property display system of Embodiment 2. FIG. 7 is a diagram showing an example of displaying search variables on the screen of a display unit. FIG. 8 is a diagram showing an example of enlarged display of a predetermined color map on the screen of a display unit. FIG. 9 is a flowchart showing an example of the processing operation of a display unit included in the property display device and property display system according to Embodiment 2.25B is a diagram showing a scene where the display format of a search variable is corrected in a property display device according to embodiment 2. FIG. 25C is a diagram showing a scene where the display format of a search variable is corrected, following FIG. 25A. FIG. 25D is a diagram showing a scene where the display format of a search variable is corrected, following FIG. 25C. FIG. 25E is a block diagram showing a functional configuration of a property display system including a property display device according to embodiment 3. FIG. 25F is a flowchart showing an example of processing operation of a display unit included in the property display device and property display system according to embodiment 3.

[0018] (Background to the present disclosure) In recent years, in fields such as image recognition and natural language processing, recognition and identification methods using machine learning and the like have made significant progress, and are beginning to be applied to predicting material properties.

[0019] For example, Non-Patent Document 1 discloses a method for predicting the thermodynamic stability of perovskite-based materials using a neural network. Perovskite-based materials are materials expressed by the composition formula ABX_3, where A, B, and X are designated as different elements. According to the method of Non-Patent Document 1, it is possible to predict the thermodynamic stability of a composition formula in which an unexplored combination of elements is assigned to each of A, B, and X, or the thermodynamic stability of a composition formula in which two or more elements are assigned to A (or B, X) so that the sum of the coefficients is 1. This method can reduce the number of labor-intensive experiments and promote material development.

[0020] However, although the technology disclosed in Non-Patent Document 1 is capable of outputting a huge number of prediction results, each prediction result is presented individually, making it difficult to recognize the overall picture of the prediction results.

[0021] Patent Document 1 discloses a method for displaying the properties of a compound when the composition of the composition formula is changed on a ternary diagram. However, the ternary diagram disclosed in Patent Document 1 only displays the compounding ratio of three elements, i.e., the range represented by two search variables. Therefore, when a compound has many search variables, it is difficult to grasp the overall picture of the compound's properties.

[0022] Patent Document 2 discloses a method for displaying characteristics by arranging multiple pieces of data shown in pie charts in a matrix format. However, with the technology disclosed in Patent Document 2, it is difficult to grasp the overall characteristics of a compound with a large number of search variables, such as perovskite-based materials.

[0023] Patent Document 3 discloses a method for inputting the blending ratios of a huge number of raw materials and outputting blending ratios having target properties. However, with the technology disclosed in Patent Document 3, the output results are presented locally, making it difficult to recognize the overall picture of the properties of the compound.

[0024] In contrast, the property display device etc. of the present disclosure forms a single image using a color map showing the properties of a compound and an array map consisting of an array of multiple color maps, and displays the properties of the compound by assigning high-priority search variables to the coordinate axes of each color map and low-priority search variables to the array direction axes of the array map. This allows the user to recognize the overall picture of the properties of a compound when its configuration is changed.

[0025] Hereinafter, embodiments of the present disclosure will be described with reference to the drawings. Each of the embodiments described below represents a specific example of the present disclosure. Therefore, the numerical values, shapes, materials, components, arrangement positions and connection forms of the components shown in the following embodiments are merely examples and are not intended to limit the present disclosure. Therefore, among the components in the following embodiments, components that are not described in the independent claims that represent the superordinate concept of the present disclosure will be described as optional components.

[0026] It should be noted that the drawings are schematic diagrams and are not necessarily strict illustrations. In addition, in the drawings, substantially the same components are denoted by the same reference numerals, and redundant explanations will be omitted or simplified.

[0027] (First Embodiment) [1-1. Configuration of a characteristic display device and a characteristic display system] A characteristic display device and a characteristic display system according to a first embodiment will be described with reference to FIGS. 1 to 11. FIG.

[0028] FIG. 1 is a block diagram showing the functional configuration of a characteristic display system 5 including a characteristic display device 1 according to the first embodiment.

[0029] 1 , the characteristic display system 5 includes a characteristic display device 1, a search content input unit 10, a predictor database 13, and a display unit 18. The characteristic display device 1 includes a search content acquisition unit 11, a data editing unit 12, a characteristic value acquisition unit 14, a priority setting unit 15, a display format determination unit 16, and an image processing unit 17.

[0030] The characteristic display device 1 is configured by, for example, a processor such as a CPU (Central Processing Unit), a volatile memory, a non-volatile memory, and a program stored in the non-volatile memory. The functional configuration of the characteristic display device 1 is realized by executing the program.

[0031] The search content input unit 10 receives the search content for a compound, for example, through an operational input by a user. The search content for a compound refers to the content of each component of a compound when changing the compound's configuration and displaying the compound's properties. The search content also includes designating a specific compound from among multiple types of compounds. The search content input unit 10 may be, for example, a keyboard, a touch sensor, a touchpad, and / or a mouse.

[0032] In this embodiment, an example will be described in which the compound to be searched for is a solid electrolyte, and the composition formula of the compound is represented by the following (Formula 1).

[0033] Li ２－３ａ－４ｂ (M3 １－ｘ M3' ｘ ) ａ (M4 １－ｙ M4' ｙ ) １＋ｂ O ３　　 In (Equation 1), O is a configuration not included in the current search content.

[0034] Fig. 2 is a diagram showing an example of search content input to the property display device 1. Fig. 2 shows search variables and search data, which are the contents of the search content.

[0035] A search variable is a parameter that determines the composition of a compound, and search data is data that indicates the value or range that the search variable takes. Search variables include, for example, categorical variables, discrete variables, and continuous variables. The composition of a compound is not limited to the elemental composition ratio of the compound, i.e., the composition ratio, etc. The composition of a compound includes production process conditions for producing the compound, such as the calcination method, calcination time, and calcination temperature. That is, in (Formula 1), the composition formula of the compound is represented as information using categorical variables, discrete variables, and continuous variables, but the composition of the compound is not limited to the variables included in the composition formula representing the compound. The composition of the compound may include parameters that represent production process conditions for producing the compound, such as the calcination method, calcination time, and calcination temperature.

[0036] A categorical variable is, for example, the type of element that constitutes a compound. In (Equation 1), the combination of M3 and M3' and the combination of M4 and M4' correspond to categorical variables. FIG. 2 shows an example of a combination of M3 and M3' in which two elements are selected from four elements, La, Al, Ga, and In. The number of combinations of M3 and M3', i.e., the number of search data, is six. FIG. 2 also shows an example of a combination of M4 and M4' in which two elements are selected from three elements, Ti, Zr, and Hf. The number of combinations of M4 and M4', i.e., the number of search data, is three. Note that Li is a pre-fixed element and does not correspond to a categorical variable in this example.

[0037] A continuous variable is a numerical value used to determine the composition ratio of a compound. A continuous variable has a larger number of search data than a discrete variable or a categorical variable, and is suitable for detailed analysis of changes in characteristic values ​​relative to changes in search data. A continuous variable is, for example, a variable whose maximum search data value is 1 and whose minimum search data value is 0. Furthermore, a continuous variable may have five or more search data values.

[0038] In Equation 1, x and y each correspond to a continuous variable. For example, the ratios of M3 and M3', represented by the continuous variable x, have a negative correlation such that changing one ratio changes the other ratio. Furthermore, the ratios of M4 and M4', represented by the continuous variable y, have a negative correlation such that changing one ratio changes the other ratio. The continuous variables x and y shown in FIG. 2 both have a minimum value of 0.0 and a maximum value of 1.0, and the number of search data is 11. Each search data of the continuous variables x and y may be expressed as a list of all data, such as 0.0, 0.1, 0.2, ..., 1.0, or may be expressed by indicating the data interval, such as a step width of 0.1. The step width of the continuous variables shown in FIG. 2 may be smaller than 0.1 to allow the search data to change more continuously. Examples of smaller step widths are 0.01 and 0.001. The user may specify that each of the search variables x and y is a continuous variable. In this case, the user may specify the minimum and maximum values ​​of the search variables x and y, and values ​​stored in advance in the characteristic display device 1 may be used as the step widths of the search variables x and y.

[0039] Discrete variables are numerical values ​​used to determine the composition ratio of compounds. Discrete variables have discrete search data, and there are fewer search data sets than continuous variables. In (Equation 1), a and b each correspond to a discrete variable. The search data for discrete variable a shown in Figure 2 is expressed in a state where all data are listed, such as 0.0, 0.05, 0.1, 0.15, and 0.2. The search data for discrete variable b is expressed in a state where all data are listed, such as 0.0, 0.1, 0.2, and 0.3.

[0040] The compound search content may include a formula that identifies the compound to be searched for, search variables, and search data corresponding to the search variables.

[0041] The user may input the formula (Formula 1), which is a formula for specifying the compound to be searched for, into the property display device 1 using a keyboard.

[0042] A user may input search data corresponding to the search variables displayed on the display into the property display device 1 using a keyboard, touch sensor, touchpad and / or mouse.

[0043] The user may input (Ti, Zr), (Ti, Hf), (Zr, Hf), (Zr, Ti), (Hf, Ti), (Hf, Zr) into the characteristic display device 1 as search data corresponding to the search variables (M4, M4'), input 0.0, 0.05, 0.1, 0.15, 0.2 into the characteristic display device 1 as search data corresponding to the search variable a, input 0.0, 0.1, 0.2, 0.3 into the characteristic display device 1 as search data corresponding to the search variable b, input 0.0, 0.1, 0.2, ..., 1.0 into the characteristic display device 1 as search data corresponding to the search variable x, and input 0.0, 0.1, 0.2, ..., 1.0 into the characteristic display device 1 as search data corresponding to the search variable y.

[0044] The search content acquisition unit 11 may receive the search content of the compound inputted above.

[0045] 3 is a diagram showing another example of search content input to the characteristic display device 1. The search content in FIG. 3 includes variable information related to the manufacturing method, such as the firing method as a categorical variable, the firing time as a discrete variable, and the firing temperature as a continuous variable. The search variables are not limited to the composition ratio of the compound, etc., but may also include the compound manufacturing method, such as the firing method, firing time, and firing temperature.

[0046] The search content input unit 10 outputs the compound search content input to the property display system 5 to the search content acquisition unit 11 .

[0047] The search content acquisition unit 11 acquires the search content output from the search content input unit 10. Then, the search content acquisition unit 11 outputs the acquired search content to the data editing unit 12 and the priority setting unit 15, respectively.

[0048] The data editing unit 12 generates all possible combinations of the search data included in the search content, thereby generating a plurality of search data after combinations.

[0049] 4 is a diagram showing an example of combined search data generated based on search content. In FIG. 4, the combined search data is expressed in a state where each row is a list. Note that the combined search data may be expressed by the order within each variable, rather than by the list as in FIG. 4. For example, when the discrete variable a is expressed in the order of 0.0, 0.05, 0.1, 0.15, and 0.2 as the order within the variable, if the discrete variable a=0.1, the discrete variable a may be identified by indicating that the order of the discrete variable a is 3.

[0050] The data editing unit 12 outputs the combined search data to the characteristic value acquisition unit 14, which will be described later.

[0051] The predictor database 13 stores the composition formulas of multiple types of compounds and predictors for predicting the characteristic values ​​of the compounds. The predictors are programs based on a predetermined calculation algorithm. The predictor database 13 is configured, for example, with a non-volatile memory. Note that the predictor database 13 may be in any format as long as it can output characteristic values ​​related to each search data.

[0052] The characteristic values ​​output from the predictor database 13 may be characteristic values ​​calculated using the predictors described in, for example, Non-Patent Document 1 and Non-Patent Document 2. Non-Patent Document 1 discloses a method for predicting the thermodynamic stability of perovskite-based compounds. Non-Patent Document 2 discloses a method for predicting the probability that a compound will exhibit high ionic conductivity.

[0053] Furthermore, the characteristic values ​​output from the predictor database 13 may be characteristic values ​​calculated by, for example, density functional theory. The specification of a crystal structure is required for density functional theory processing. For example, if the composition formula is the same, a crystal structure of a known compound may be adopted. If the composition formula is different, some sites may be replaced with other elements to create a provisional crystal structure, which may then be used for density functional theory calculations. Alternatively, the crystal structure of one of the compounds may be experimentally verified, and that crystal structure may be adopted, and the density functional theory may be performed in the same manner as described above.

[0054] Furthermore, the characteristic values ​​output from the predictor database 13 may be characteristic values ​​calculated using, for example, a technique called Ab initio molecular dynamics (AIMD) described in Non-Patent Document 3. Non-Patent Document 3 discloses a method for calculating the diffusion coefficient of ions. Note that the characteristic values ​​are not limited to predicted values, and may be experimentally obtained characteristic values. Examples of the characteristic values ​​include electrical conductivity values ​​and thermal conductivity values.

[0055] The predictor database 13 outputs to the characteristic value acquisition unit 14 a predictor that meets the request of the characteristic value acquisition unit 14, that is, a predictor that is suitable for predicting the properties of a compound.

[0056] The characteristic value acquisition unit 14 acquires the combined search data output from the data editing unit 12, and also acquires the above-mentioned predictor from the predictor database 13. The characteristic value acquisition unit 14 calculates characteristic values ​​for the combined search data using the predictor, and acquires the characteristic values ​​of the compound.

[0057] Fig. 5 is a diagram showing an example of search data and characteristic values ​​after the combination. The characteristic values ​​of the compound for the search data after the combination are shown on the right side of Fig. 5. The characteristic values ​​in this embodiment are predicted values ​​calculated by a predictor.

[0058] The characteristic value acquisition unit 14 associates the combined search data with the calculated characteristic values ​​and outputs them to the image processing unit 17 .

[0059] The priority setting unit 15 sets the priority of the search variables based on the search content output from the search content acquisition unit 11. The priority is set high when it is necessary to closely examine changes in characteristic values ​​in response to changes in search data. In other words, if the number of values ​​of search variable p is pn, the number of values ​​of search variable q is qn, and pn > qn, the priority of search variable p is set higher than the priority of search variable q.

[0060] FIG. 6 is a diagram showing an example of priorities set for search variables included in search content. The following description will be given assuming that the search content is that shown in FIG. 2. In FIG. 6, the priority is set so that it increases toward the right side of the figure. For example, the priority setting unit 15 sets the highest priority to the continuous variables x and y, which have the largest number of search data items, among the continuous variables x and y, the discrete variables a and b, and the categorical variables (M3, M3') and (M4, M4'). Furthermore, the priority setting unit 15 sets the priority of the discrete variables a and b higher than the priority of the categorical variables (M3, M3') and (M4, M4').

[0061] Furthermore, when there are multiple continuous variables, the priority setting unit 15 sets a higher priority for a continuous variable with a larger number of search data. Exceptionally, the priority setting unit 15 sets the highest priority for a continuous variable whose minimum value of search data is 0, whose maximum value is 1, and whose number of search data is five or more. Furthermore, when the number of search data is the same, the priority setting unit 15 sets the priority to the same level. In the example shown in FIG. 2 , the continuous variables x and y both have a minimum value of 0, a maximum value of 1, and whose number of search data is five or more, so the priority setting unit 15 sets the priority for both at the same high level. Even when there are three or more continuous variables, the priority setting unit 15 sets the priority based on the number of search data.

[0062] Furthermore, when there are multiple discrete variables, the priority setting unit 15 sets a higher priority for a discrete variable with a larger number of search data. Furthermore, when the number of search data is the same, the priority setting unit 15 sets the priority to the same level. In the example shown in FIG. 2, the number of search data for discrete variable a is 5 and the number of search data for discrete variable b is 4, so the priority setting unit 15 sets the priority of discrete variable a higher than that of discrete variable b. Even when there are three or more discrete variables, the priority setting unit 15 sets the priority based on the number of search data.

[0063] Furthermore, when there are multiple categorical variables, the priority setting unit 15 sets a higher priority for a categorical variable with a larger number of search data. Furthermore, when the number of search data is the same, the priority setting unit 15 sets the priority to the same level. In the example shown in FIG. 2 , M3 and M3′ are selected by combining two elements from four, so the number of search data is six, and M4 and M4′ are selected by combining two elements from three, so the number of search data is two. The priority setting unit 15 sets the priority of M3 and M3′ higher than that of M4 and M4′. Even when there are three or more categorical variables, the priority setting unit 15 sets the priority based on the number of search data.

[0064] The priority setting unit 15 outputs the result of the priority setting to the display format determination unit 16 .

[0065] The display format determination unit 16 determines the display format of the compound characteristics based on the priority setting results output from the priority setting unit 15. The display format determination unit 16 determines the display format of the compound characteristics by assigning search variables with high priority among the multiple search variables to coordinate axes A1 and A2 of the color map Ma and assigning search variables with lower priority than the high-priority search variables to array direction axes A3 and A4 of the first array map Mb1 (see FIG. 7 ). The color map Ma and the first array map Mb1 will be described below.

[0066] 7 shows a color map Ma and a first array map Mb1 used to display the characteristics of a compound. The characteristic display device 1 of this embodiment forms a single image using the color map Ma, which is a rectangular diagram, and the first array map Mb1, which is composed of an array of multiple color maps Ma, to represent the overall characteristics of the compound. Note that the rectangular diagram refers to a color map expressed by two independent variables x and y.

[0067] The color map Ma is an image that represents differences in the properties of a compound by converting them into colors. The property of the compound is, for example, the band gap (eV), which is one of the properties of a solid electrolyte. The color map Ma in FIG. 7 is shown in grayscale, but the actual colors are as follows: black in FIG. 7 is red in the actual color map, white in FIG. 7 is blue in the actual color map, and the intermediate color between black and white in FIG. 7 is white in the actual color map. For example, by setting white as the standard for the property value in the actual color map, it is possible to recognize at a glance whether a specific region of the color map Ma is below or above the standard.

[0068] 7 has a coordinate axis A1 which is the horizontal axis and a coordinate axis A2 which is the vertical axis. The first array map Mb1 is in a matrix form and has an array direction axis A3 which is the horizontal axis and an array direction axis A4 which is the vertical axis.

[0069] FIG. 8 is a diagram showing an example in which search variables are assigned to the coordinate axes A1 and A2 of the color map Ma and the array direction axes A3 and A4 of the first array map Mb1.

[0070] The display format determination unit 16 assigns two variables with the first and second highest priorities among continuous variables, discrete variables, and categorical variables to two coordinate axes A1 and A2 of the color map Ma. In Fig. 8, the continuous variable x is assigned to the coordinate axis A1, and the continuous variable y is assigned to the coordinate axis A2.

[0071] 9 is a diagram showing an image in which continuous variables x and y are assigned to coordinate axes A1 and A2 of a color map Ma. In FIG. 9, the compound in the lower left corner of the color map Ma is Li. １．７ Al ０．１ TiO ３ and the compound in the bottom right corner is Li １．７ Ga ０．１ TiO ３ and the compound in the upper left corner is Li １．７ Al ０．１ ZrO ３ and the compound in the upper right corner is Li １．７ Ga ０．１ ZrO ３In this color map Ma, the characteristic values ​​decrease toward the lower right corner, so it is easy to see that increasing the Ga ratio or Ti ratio will decrease the characteristic values. In this way, by assigning the continuous variables x and y, which have a large number of search data, to the coordinate axes A1 and A2 of the color map Ma, the characteristics related to the continuous variables x and y can be analyzed in detail.

[0072] 8, the display format determination unit 16 assigns two variables with the highest priority among the variables not assigned to the coordinate axes A1 and A2 of the color map Ma, i.e., the two variables with the third and fourth highest priorities, to two array direction axes A3 and A4 of the first array map Mb1. Specifically, the display format determination unit 16 assigns the variable with the third highest priority to the array direction axis A3, which is a column component of the first array map Mb1 represented by a matrix, and assigns the variable with the fourth highest priority to the array direction axis A4, which is a row component of the first array map Mb1. In FIG. 8, the discrete variable a is assigned to the array direction axis A3, and the discrete variable b is assigned to the array direction axis A4.

[0073] 10 is a diagram showing a predetermined color map Ma' in the first array map Mb1, and some search data and characteristic values ​​corresponding to the predetermined color map Ma'. The search data indicates that M3=La, M3'=Al, M4=Ti, M4'=Zr, a=0.0, b=0.1, and x and y are values ​​between 0 and 1 in increments of 0.1.

[0074] If there are other search variables among the multiple search variables that are not assigned to the coordinate axes A1 and A2 and the array direction axes A3 and A4, the display format determination unit 16 may determine to display images based on the other search variables in another region T1 (see FIG. 7 ) different from the color map Ma and the first array map Mb1. For example, the display format determination unit 16 may switch and display images based on the other search variables using a scroll bar on the screen.

[0075] The display format determination unit 16 outputs the determined display format to the image processing unit 17 .

[0076] The image processing unit 17 acquires the search data and characteristic values ​​output from the characteristic value acquisition unit 14, and acquires the display format output from the display format determination unit 16. The image processing unit 17 generates an image showing the characteristics of the compound based on the acquired search data, characteristic values, and display format. Specifically, the image processing unit 17 generates a first sequence map Mb1 including multiple color maps Ma as a single image. That is, the image processing unit 17 visualizes information showing the characteristics of the compound based on the acquired search data, characteristic values, and display format. The image processing unit 17 outputs a signal showing the generated image to the display unit 18.

[0077] In addition, the image processing unit 17 may divide multiple search data based on search variables other than the search variables assigned to the coordinate axes A1 and A2 of the color map Ma, and generate an image in which the color map is divided into smaller pieces for each divided search data.

[0078] Furthermore, the image processing unit 17 may generate an image such that each characteristic value corresponds one-to-one to the value of each search data of the search variables assigned to the coordinate axes A1 and A2, or may generate an image by interpolating between data points. For example, when continuous variables x and y are assigned to the coordinate axes A1 and A2, the image processing unit 17 may prepare 11 x 11 cells since there is 11 x 11 data, and generate an image in which each cell is assigned a color corresponding to the characteristic value of each cell. Furthermore, the image processing unit 17 may generate an image by interpolating between the 11 x 11 data points using a known interpolation method (e.g., linear interpolation, bilinear interpolation, bicubic interpolation, etc.).

[0079] The display unit 18 is an output unit that outputs an image showing the properties of the compound. The display unit 18 is, for example, a display device such as a liquid crystal panel, and displays an image based on the signal output from the image processing unit 17.

[0080] 11 is a diagram showing an example of an image displayed on the display unit 18 of the characteristic display system 5. The image shown in FIG. 11 shows a first array map Mb1 in which a plurality of color maps Ma are arranged in four rows and five columns. The image showing the characteristics of a compound may be an image in which a plurality of color maps Ma are arranged, as shown in FIG. 11, or may be displayed in other display formats. For example, the image showing the characteristics of a compound may have, at the top of the image, an image displaying the compound to be searched, an image displaying a color bar indicating the level of the characteristic value, and an image displaying the search variables and search data.

[0081] [1-2. Processing Operation of the Characteristic Display Device, etc.] Next, the processing operation of the characteristic display device 1, etc. according to the first embodiment will be described.

[0082] FIG. 12 is a flowchart showing an example of the processing operation of the characteristic display device 1 and the display unit 18 included in the characteristic display system 5.

[0083] First, the search content acquisition unit 11 acquires the search content output from the search content input unit 10 (step S10). The search content includes search variables and search data. The search content acquisition unit 11 outputs the acquired search content to each of the data editing unit 12 and the priority setting unit 15.

[0084] The data editing unit 12 receives the search content output from the search content acquisition unit 11 and generates combined search data by combining all of the search data (step S11). The data editing unit 12 outputs the combined search data to the characteristic value acquisition unit 14.

[0085] The characteristic value acquisition unit 14 receives the combined search data output from the data editing unit 12 and acquires a predictor for calculating the compound characteristics from the predictor database 13. The characteristic value acquisition unit 14 inputs the combined search data into the predictor and calculates the compound characteristic values ​​corresponding to each data, thereby acquiring the characteristic values ​​(step S12). The characteristic value acquisition unit 14 associates the combined search data and the characteristic values ​​and outputs them to the image processing unit 17.

[0086] Meanwhile, the priority setting unit 15 acquires the search content output from the search content acquisition unit 11 and sets priorities for each search variable included in the search content (step S13). Search variables are provided for continuous variables, discrete variables, and categorical variables. For example, the priority setting unit 15 sets the highest priority for the continuous variables x and y among the continuous variables x and y, the discrete variables a and b, and the categorical variables (M3, M3') and (M4, M4'), because the continuous variables x and y have the largest number of search data items. Furthermore, the priority setting unit 15 sets the priority for the discrete variables a and b higher than the priorities for the categorical variables (M3, M3') and (M4, M4'). The priority setting unit 15 outputs the priority setting results to the display format determination unit 16.

[0087] The display format determination unit 16 determines the display format of the compound characteristics based on the priority setting results output from the priority setting unit 15 (step S14). Specifically, the display format determination unit 16 determines the display format of the compound characteristics by assigning search variables with high priority among the multiple search variables to the coordinate axes A1 and A2 of the color map Ma and assigning search variables with lower priority than the high-priority search variables to the array direction axes A3 and A4 of the first array map Mb1. The display format determination unit 16 outputs the display format determined as described above to the image processing unit 17.

[0088] Note that steps S13 and S14 may be executed in parallel with steps S11 and S12, or may be executed after or before steps S11 and S12.

[0089] The image processing unit 17 executes a process of generating an image showing the properties of the compound based on the search data and property values ​​output from the property value acquisition unit 14 and the display format output from the display format determination unit 16 (step S15). The image processing unit 17 is a visualization unit that visualizes the properties of the compound. The visualization unit generates a first sequence map Mb1 including multiple color maps Ma as a single image based on the acquired search data, property values, and visualization format. The image processing unit 17 outputs a signal showing the generated image to the display unit 18.

[0090] The display unit 18 displays an image based on the signal output from the image processing unit 17 (step S16). The property display device 1 and the display unit 18 display the properties of the compound through the processing operations of steps S10 to S16.

[0091] In the above embodiment, the priority is determined based on the number of search variables, the maximum value, the minimum value, etc., but the present disclosure is not limited to this.

[0092] For example, the characteristic value acquisition unit 14 may fix the search data except for one of the multiple search variables, calculate the change in the characteristic value when the one search variable is changed, and calculate the average change in the characteristic value for all combinations of the search variables for which the search data is fixed. Then, the characteristic value acquisition unit 14 may calculate the average change in the characteristic value for each continuous variable, discrete variable, and categorical variable. The priority setting unit 15 may assign a higher priority to the continuous variable, discrete variable, and categorical variable with the smallest average change in the characteristic value. In the above embodiment, the continuous variables x and y correspond to the variables with the smallest average change in the characteristic value. The actual average changes in the characteristic values ​​are 'x': 0.0277, 'y': 0.0633, 'M3': 0.0900, 'a': 0.1343, 'M4': 0.2671, and 'b': 0.3055. The average change in the characteristic value is the smallest for the continuous variable x, and the second smallest for the continuous variable y. The smallness of a, b, M3, and M4 is third or smaller.

[0093] [1-3. Variation 1 of Embodiment 1] Next, a description will be given of a property display device 1 according to Variation 1 of Embodiment 1. Variation 1 describes how the properties of compounds are displayed when the assignment of search variables to the coordinate axes A1 and A2 and the array direction axes A3 and A4 is changed.

[0094] In this modification, an example will be described in which the compound to be searched for is a solid electrolyte, and the composition formula of the compound is represented by the following (Formula 2).

[0095] Li ２－３ａ－４ｂ (Al １－ｘ Ga ｘ ) ａ (Ti １－ｙ Zr ｙ ) １＋ｂ O３　　 ...(Formula 2) Fig. 13 is a diagram showing an example of search content input to the property display device 1 according to Modification 1. Fig. 13 shows search variables and search data, which are the contents of the search content. The search variables in Modification 1 are expressed as a composition formula including four variables: x, y, a, and b.

[0096] FIG. 14 is a diagram showing an example of an image displayed by the characteristic display device 1 according to Modification 1. Similar to the display format of Embodiment 1, FIG. 14 shows an example in which the variable x is assigned to the coordinate axis A1 of each color map Ma, the variable y is assigned to the coordinate axis A2, and the variable a is assigned to the array direction axis A3 of the first array map Mb1, and the variable b is assigned to the array direction axis A4. It can be seen from FIG. 14 that the characteristic value decreases as the variables a and b increase. Furthermore, when the variables a and b are fixed, it can be seen that the characteristic value increases or decreases as the variable x increases, for example.

[0097] FIG. 15 is a diagram showing another example of an image displayed by the characteristic display device 1 according to the first modification. FIG. 15 shows an example in which the variable a is assigned to the coordinate axis A1 of each color map Ma, the variable b is assigned to the coordinate axis A2, and the variable x is assigned to the array direction axis A3 of the first array map Mb1, and the variable y is assigned to the array direction axis A4. It can be seen from FIG. 15 that the characteristic value decreases as the variables a and b increase. It can also be seen that the display format of FIG. 15 makes it difficult to read the change in the characteristic value associated with a change in the variable x or y.

[0098] Like the characteristic display device 1 of the first modified example, by freely setting priorities, it is possible to recognize the overall picture of the characteristics of compounds.

[0099] [1-4. Modification 2 of Embodiment 1] Next, a description will be given of a property display device 1 according to Modification 2 of Embodiment 1. In Modification 2, an example will be described in which the properties of a compound are displayed using a second sequence map Mb2 configured by arranging a plurality of first sequence maps Mb1.

[0100] 16 is a diagram showing an example of an image displayed on the characteristic display device 1 according to the second modification. [A] shown in FIG. ２－３ａ－４ｂ (Al １－ｘ Ga ｘ) ａ (Ti １－ｙ Hf ｙ ) １＋ｂ O ３ , ..., [R] is Li ２－３ａ－４ｂ (La １－ｘ In ｘ ) ａ (Zr １－ｙ Hf ｙ ) １＋ｂ O ３ What [A], ..., [R] represent can be understood by referring to the area inside the rectangular line shown at the bottom of Fig. 16. The image displayed on the characteristic display device 1 is the rectangular line shown at the bottom of Fig. 16 and the A:Li included inside this rectangular line. ２－３ａ－４ｂ (Al １－ｘ Ga ｘ ) ａ (Ti １－ｙ Hf ｙ ) １＋ｂ O ３ , ..., R:Li ２－３ａ－４ｂ (La １－ｘ In ｘ ) ａ (Zr １－ｙ Hf ｙ ) １＋ｂ O ３ FIG. 16 is shown above so that the characters can be recognized.

[0101] 16 is an array map formed by arranging a plurality of first array maps Mb1. The second array map Mb2 is in a matrix form and has an array direction axis A5, which is the horizontal axis, and an array direction axis A6, which is the vertical axis.

[0102] As in the first embodiment, the display format determination unit 16 assigns two variables with the first and second highest priorities among the continuous variables, discrete variables, and categorical variables to the two coordinate axes A1 and A2 of the color map Ma. Furthermore, the display format determination unit 16 assigns two search variables with high priorities among the variables not assigned to the coordinate axes A1 and A2 of the color map Ma, i.e., the two search variables with the third and fourth highest priorities, to the two array direction axes A3 and A4 of the first array map Mb1. In Fig. 16, two continuous variables x and y are assigned to the coordinate axes A1 and A2 of the color map Ma, and two discrete variables a and b are assigned to the array direction axes A3 and A4 of the first array map Mb1.

[0103] The display format determination unit 16 of the second modification example further assigns the search variables with the fifth and sixth highest priorities to two array direction axes A5 and A6 of the second array map Mb2. For example, the search variable with the fifth highest priority is assigned to the array direction axis A5, which is a column component of the second array map Mb2 represented by a matrix, and the search variable with the sixth highest priority is assigned to the array direction axis A6, which is a row component of the second array map Mb2. In FIG. 16 , M3 and M3′, which are categorical variables with the highest priorities among the categorical variables, are assigned to the array direction axis A5, and M4 and M4′, which are categorical variables with the next highest priorities after M3 and M3′, are assigned to the array direction axis A6.

[0104] According to the characteristic display device 1 of the second modified example, it is possible to recognize the overall picture of the characteristics of a compound with respect to six variables including continuous variables, discrete variables, and categorical variables.

[0105] [1-5. Modification 3 of Embodiment 1] Next, a description will be given of a characteristic display device 1 according to Modification 3 of Embodiment 1. Modification 3 describes an example in which the color map is a ternary diagram and categorical variables are assigned to the array direction axes A3 and A4 of the first array map Mb1.

[0106] In this modification, an example will be described in which the compound to be searched for is a semiconductor compound, and the composition formula of the compound is expressed by the following (Formula 3).

[0107] M1 (M2 １－ｘ－ｙ M2'ｘ M2'' ｙ ) where x+y≦1 (Equation 3) Figure 17 is a diagram showing an example of search content input to the characteristic display device 1 according to Modification 3. Figure 17 shows search variables and search data, which are the contents of the search content. The search content of Modification 3 has categorical variables and continuous variables, but does not have discrete variables.

[0108] A categorical variable is, for example, the type of element that constitutes a compound. In (Equation 3), M1 and (M2, M2', and M2'') correspond to categorical variables. FIG. 17 shows an example of M1 in which one element is selected from four elements, Se, O, As, and Nn. The number of search data for M1 is four. FIG. 17 also shows an example of a combination of M2, M2', and M2'' in which three elements are selected from five elements, Si, Ge, Zn, Cd, and In. The number of combinations of M2, M2', and M2'', i.e., the number of search data, is 10.

[0109] A continuous variable is a numerical value used to determine the composition ratio of a compound. A continuous variable has a larger number of search data points than a categorical variable, and is suitable for detailed analysis of changes in characteristic values ​​relative to changes in search data. A continuous variable is, for example, a variable whose maximum search data value is 1 and whose minimum search data value is 0. Furthermore, a continuous variable may have five or more search data points.

[0110] In Equation 3, x and y each correspond to a continuous variable. The continuous variables x and y have a correlation such that x + y ≦ 1. For example, the ratios of M2, M2', and M2'' represented by the continuous variables x and y have a relationship in which the ratio of M2 changes when the ratio of M2' or M2'' is changed. The continuous variables x and y shown in FIG. 17 both have a minimum value of 0.0 and a maximum value of 1.0, and the number of search data is 11. The search data for the continuous variables x and y may be expressed in a state where all data are listed, such as 0.0, 0.1, 0.2, ..., 1.0, or may be expressed by indicating data intervals, such as a step width of 0.1.

[0111] 18 is a diagram showing an example of the priorities of search variables. In FIG. 18, the priorities are set so that they increase toward the right side of the diagram. For example, the priority setting unit 15 sets the highest priority to the continuous variables x and y, which have the largest number of search data items, among the continuous variables x and y and the categorical variables M1, (M2, M2', and M2'').

[0112] Furthermore, when there are multiple continuous variables, the priority setting unit 15 sets a higher priority for a continuous variable with a larger number of search data. Exceptionally, the priority setting unit 15 sets the highest priority for a continuous variable whose minimum search data value is 0 and maximum search data value is 1 and whose number of search data values ​​is five or more. Furthermore, when the number of search data values ​​is the same, the priority setting unit 15 sets the priority to the same level.

[0113] Furthermore, when there are multiple categorical variables, the priority setting unit 15 sets a higher priority for a categorical variable with a larger number of search data. Furthermore, when the number of search data is the same, the priority setting unit 15 sets the priority to the same level. In the example shown in FIG. 17 , M1 selects one element from four elements, so the number of search data is four, and (M2, M2', and M2'') selects a combination of three elements from five elements, so the number of search data is ten, and the priority setting unit 15 sets the priority of (M2, M2', and M2'') higher than that of M1.

[0114] The display format determination unit 16 determines the display format of the compound characteristics based on the priority setting results set by the priority setting unit 15. The display format determination unit 16 determines the display format of the compound characteristics by assigning search variables with high priority among the multiple search variables to the coordinate axes A1a and A2a of the color map Maa and assigning search variables with lower priority than the high-priority search variables to the array direction axes A3 and A4 of the first array map Mb1. The color map Maa and the first array map Mb1 will be described below.

[0115] 19 shows a color map Maa and a first sequence map Mb1 used to display the properties of a compound. When continuous variables x and y have a relationship of x + y ≦ 1, a ternary diagram is used as the color map Maa for display. Note that a ternary diagram refers to a color map expressed by three variables x, y, and z (where x + y + z = 1).

[0116] The characteristic display device 1 of this modified example forms one image using a color map Maa and a first array map Mb1 configured by arranging a plurality of color maps Maa, and expresses an overall picture of the characteristics of a compound.

[0117] The color map Maa is an image that represents differences in the properties of compounds by converting them into colors. The properties of the compounds are, for example, the band gap (eV), which is one of the properties of semiconductor compounds. The color map Maa in FIG. 19 is shown in grayscale, but in actual colors, black in FIG. 19 is green in the actual color map, white in FIG. 19 is red in the actual color map, and intermediate colors between black and white in FIG. 19 are white in the actual color map.

[0118] 19 has a coordinate axis A1a which is the horizontal axis and a coordinate axis A2a which is inclined at 60 degrees. The first arrangement map Mb1 is in a matrix form and has an arrangement direction axis A3 which is the horizontal axis and an arrangement direction axis A4 which is the vertical axis.

[0119] FIG. 19 is a diagram showing an example in which search variables are assigned to coordinate axes A1a and A2a of the color map Maa and array direction axes A3 and A4 of the first array map Mb1.

[0120] The display format determination unit 16 assigns the two variables with the first and second highest priorities, among the continuous variables and categorical variables, to the two coordinate axes A1a and A2a of the color map Maa. In Fig. 19, the continuous variable x is assigned to the coordinate axis A1a, and the continuous variable y is assigned to the coordinate axis A2a.

[0121] As shown in Fig. 19, the display format determination unit 16 assigns two variables with the highest priority among the variables not assigned to the coordinate axes A1a and A2a of the color map Maa, i.e., the two variables with the third and fourth highest priorities, to two array direction axes A3 and A4 of the first array map Mb1. Specifically, the display format determination unit 16 assigns the variable with the third highest priority to the array direction axis A3, which is a column component of the first array map Mb1 represented by a matrix, and assigns the variable with the fourth highest priority to the array direction axis A4, which is a row component of the first array map Mb1. In Fig. 19, the categorical variables (M2, M2', and M2'') are assigned to the array direction axis A3, and the categorical variable M1 is assigned to the array direction axis A4.

[0122] The image processing unit 17 acquires the search data and characteristic values ​​output from the characteristic value acquisition unit 14, and acquires the display format output from the display format determination unit 16. The image processing unit 17 generates an image showing the characteristics of the compound based on the acquired search data, characteristic values, and display format. Specifically, the image processing unit 17 generates a first sequence map Mb1 including multiple color maps Maa as a single image. That is, the image processing unit 17 visualizes information showing the characteristics of the compound based on the acquired search data, characteristic values, and display format. The image processing unit 17 outputs a signal showing the generated image to the display unit 18. The display unit 18 displays the image based on the signal output from the image processing unit 17.

[0123] Even when the color map Maa is a ternary diagram and categorical variables are assigned to the array direction axes A3 and A4 of the first array map Mb1, as in the characteristic display device 1 of variant example 3, it is possible to recognize the overall picture of the compound's characteristics.

[0124] In addition, when categorical variables are used for the array direction axes A3 and A4 of the first array map Mb1, the search data of the categorical variables may be arranged and displayed in any order. For example, the display format determination unit 16 may arrange the search data based on the order of the search data for the acquired search variables. For example, when the categorical variables are elements, the display format determination unit 16 may arrange the search data based on physical properties or the magnitude of the property values. Examples of physical properties include electronegativity and atomic number.

[0125] 1-6. Effects, etc. As described above, the property display device 1 according to this embodiment includes a search content acquisition unit 11 that acquires a plurality of search variables that determine the structure of a compound when the compound's structure is changed to search for its properties, and a plurality of search data that indicate values ​​or ranges taken by the plurality of search variables; a property value acquisition unit 14 that acquires property values ​​of the compound corresponding to the plurality of search data; a priority setting unit 15 that sets priorities of the plurality of search variables; a display format determination unit 16 that determines a display format for the compound's properties by assigning a search variable with a high priority among the plurality of search variables to coordinate axes A1, A2 of a color map Ma that indicates the compound's properties, and assigning a search variable with a lower priority than the high-priority search variable to array direction axes A3, A4 of a first array map Mb1 formed by arranging a plurality of color maps Ma; and an image processing unit 17 that generates at least one first array map Mb1 as a single image based on the search data, the property values, and the display format.

[0126] In this way, by assigning each search variable to a color map Ma and a first sequence map Mb1 according to the priority of the multiple search variables, it is possible to appropriately determine the display format of the compound's characteristics. Furthermore, by representing the compound's characteristics using the first sequence map Mb1 having multiple color maps Ma, it is possible to recognize the compound's characteristics in a single image. This makes it possible to recognize the overall picture of the compound's characteristics when the compound's configuration is changed.

[0127] In addition, search variables are provided for each of continuous variables, discrete variables, and categorical variables, and continuous variables have a larger number of search data points than discrete variables and categorical variables.When setting priorities, the priority setting unit 15 may set the highest priority for continuous variables, and the display format determination unit 16 may assign the continuous variables to the coordinate axes of the color map.

[0128] In this way, by setting the highest priority to continuous variables with a large number of search data, it is possible to appropriately determine the display format of the compound's properties. Furthermore, by assigning continuous variables to a color map Ma, it is possible to recognize changes in properties corresponding to changes in the continuous variables in the color map Ma. This allows for an overall understanding of the properties of a compound when its structure is changed.

[0129] In addition, the categorical variable may be at least one of an element constituting a compound and a method for manufacturing the compound to form the compound, and each of the continuous variable and the discrete variable may be at least one of a number for determining a composition ratio of the compound and a method for manufacturing the compound to form the compound.

[0130] This allows one to grasp the overall picture of the properties of a compound when the elements that make up the compound, the composition ratio of the compound, and the manufacturing method of the compound are changed.

[0131] Furthermore, the continuous variable may be a variable whose maximum value of search data is 1, whose minimum value is 0, and whose number of search data is five or more.

[0132] This allows the continuous variables to be appropriately set and the display format of the compound's properties to be appropriately determined. Furthermore, the continuous variables can be appropriately assigned to the color map Ma, and changes in properties corresponding to changes in the continuous variables can be recognized in the color map Ma. This allows the overall picture of the compound's properties to be recognized when the compound's structure is changed.

[0133] Furthermore, when there are multiple continuous variables, the priority setting unit 15 may set a higher priority for a continuous variable having a larger number of search data.

[0134] In this way, by assigning a higher priority to continuous variables with a larger number of search data points, the display format of the compound's properties can be appropriately determined. Furthermore, the continuous variables with the higher priority can be assigned to a color map Ma, and changes in properties corresponding to changes in the continuous variables can be recognized using the color map Ma. This allows a complete picture of the compound's properties when the compound's structure is changed.

[0135] Furthermore, when there are multiple discrete variables, the priority setting unit 15 may set a higher priority for a discrete variable having a larger number of search data items.

[0136] In this way, by giving a higher priority to the discrete variable search data, the display format of the compound properties can be appropriately determined, which makes it possible to recognize the overall picture of the compound properties when the compound structure is changed.

[0137] Furthermore, when there are multiple categorical variables, the priority setting unit 15 may set a higher priority for a categorical variable having a larger number of search data items.

[0138] In this way, by giving higher priority to categorical variables with a larger number of search data points, the display format of compound properties can be appropriately determined, making it possible to recognize the overall picture of compound properties when the compound structure is changed.

[0139] In addition, the display format determination unit 16 may assign the variables with the first and second highest priorities among the continuous variables, discrete variables, and categorical variables to the two coordinate axes A1 and A2 of the color map Ma, and assign the variables with the third and fourth highest priorities to the two array direction axes A3 and A4 of the first array map Mb1.

[0140] In this way, by assigning each search variable to a color map Ma and a first sequence map Mb1 according to the priority of the multiple search variables, it is possible to appropriately determine the display format of the compound's characteristics. Furthermore, by representing the compound's characteristics using the first sequence map Mb1 having multiple color maps Ma, it is possible to recognize the compound's characteristics in a single image. This makes it possible to recognize the overall picture of the compound's characteristics when the compound's configuration is changed.

[0141] In addition, the characteristic value acquisition unit 14 may fix the search data except for one of the multiple search variables, calculate the amount of change in the characteristic value when the one search variable is changed for all combinations of the search variables for which the search data is fixed, and calculate the average value of the amount of change in the characteristic value for each continuous variable, discrete variable, and categorical variable, and the priority setting unit 15 may set a high priority for the variable among the continuous variables, discrete variables, and categorical variables for which the average amount of change in the characteristic value is small.

[0142] In this way, by giving a higher priority to variables with a smaller average change in the characteristic value, it is possible to appropriately determine the display format of the compound's characteristics. Furthermore, variables with a smaller average change in the characteristic value can be assigned to the color map Ma, and changes in the characteristics corresponding to changes in the variable can be recognized in the color map Ma. This makes it possible to recognize the overall picture of the compound's characteristics when the compound's structure is changed.

[0143] In addition, the priority setting unit 15 may set the priority of the categorical variable even lower than the search variable with the above-mentioned low priority, and the display format determination unit 16 may assign the categorical variable to neither the coordinate axes A1, A2 of the color map Ma nor the array direction axes A3, A4 of the first array map Mb1, but to another area T1 different from the color map Ma and the first array map Mb1.

[0144] In this way, by setting the priority of categorical variables low, it is possible to appropriately determine the display format of the compound's properties. Furthermore, by allocating categorical variables to the other region T1 that is different from the color map Ma and the first sequence map Mb1, it is possible to appropriately recognize changes in properties corresponding to changes in continuous or discrete variables. This allows for an overall understanding of the properties of a compound when its structure is changed.

[0145] In addition, when there are multiple categorical variables, the display format determination unit 16 may assign the categorical variable with the highest priority among the multiple categorical variables to the array direction axes A5 and A6 of the second array map Mb2, which is composed of multiple first array maps Mb1, and the image processing unit 17 may generate an image showing the characteristics of the compound based on the search data, characteristic values, and display format.

[0146] In this way, by allocating categorical variables to the second sequence map Mb2, it is possible to recognize the overall picture of the properties of a compound when the structure of the compound is changed, including the categorical variables.

[0147] In addition, the display format determination unit 16 may assign the variables with the first and second highest priorities among the continuous variables, discrete variables, and categorical variables to the two coordinate axes A1 and A2 of the color map Ma, assign the variables with the third and fourth highest priorities to the two array direction axes A3 and A4 of the first array map Mb1, and assign the variables with the fifth and sixth highest priorities to the two array direction axes A5 and A6 of the second array map Mb2 composed of a plurality of first array maps Mb1 arranged, and the image processing unit 17 may generate an image showing the characteristics of the compound based on the search data, characteristic values, and display format.

[0148] In this way, by assigning each search variable to a color map Ma, a first sequence map Mb1, and a second sequence map Mb2 according to the priority of the multiple search variables, it is possible to appropriately determine the display format of the compound's characteristics. Furthermore, by representing the compound's characteristics using multiple color maps Ma, multiple first sequence maps Mb1, and multiple second sequence maps Mb2, it is possible to recognize the compound's characteristics in a single image. This makes it possible to recognize the overall picture of the compound's characteristics when the compound's configuration is changed.

[0149] In addition, the property display device 1 may further include a data editing unit 12 that executes all possible combinations of the search data and generates the combined search data, and the property value acquisition unit 14 may acquire the property value by calculating the property value of the compound for the combined search data.

[0150] This makes it possible to obtain the characteristic values ​​of the compound for the combined search data in a short time.

[0151] The property display device 1 of this embodiment comprises a search content acquisition unit 11 that acquires a plurality of search variables that determine the structure of a compound when changing the structure of the compound to search for its properties, and a plurality of search data that indicate the values ​​or ranges that the plurality of search variables take, and an image processing unit 17 that generates an image that indicates the properties of the compound in such a manner that, among the plurality of search variables, a search variable with a high priority is assigned to the coordinate axis of a color map that indicates the properties of the compound, and a search variable with a lower priority than the high-priority search variable is assigned to the array direction axis of a first array map that is composed of a plurality of color maps arranged.

[0152] In this way, by assigning each search variable to a color map and a first sequence map according to the priority of the multiple search variables, it is possible to appropriately determine the display format of the compound's characteristics. Furthermore, by representing the compound's characteristics using a first sequence map having multiple color maps, it is possible to recognize the compound's characteristics in a single image. This makes it possible to recognize the overall picture of the compound's characteristics when the compound's configuration is changed.

[0153] In addition, search variables may be provided for continuous variables and discrete variables having fewer search data than continuous variables, and the image processing unit 17 may generate an image showing the characteristics of a compound in a manner in which two continuous variables are assigned to two coordinate axes A1 and A2 of a color map Ma represented by a rectangular diagram, and two discrete variables are assigned to two array direction axes A3 and A4 of a first array map Mb1 composed of a plurality of color maps Ma arranged in an array.

[0154] In this way, by assigning continuous variables and discrete variables to the rectangular color map Ma and the first sequence map Mb1, respectively, according to the priorities of the multiple search variables, it is possible to appropriately determine the display format of the compound's characteristics. Furthermore, by representing the compound's characteristics using the first sequence map Mb1, which has multiple color maps Ma, it is possible to recognize the compound's characteristics in a single image. This allows for an overall view of the compound's characteristics when the compound's configuration is changed.

[0155] In addition, search variables may be provided for each of continuous variables and categorical variables having fewer search data than continuous variables, and the image processing unit 17 may generate an image showing the characteristics of a compound in a manner in which two continuous variables are assigned to two coordinate axes A1a and A2a of a color map Maa represented by a triangular diagram, and two categorical variables are assigned to two array direction axes A3 and A4 of a first array map Mb1 formed by arranging a plurality of color maps Maa.

[0156] In this way, by assigning continuous variables and categorical variables to the color map Maa of the ternary diagram and the first sequence map Mb1, respectively, according to the priorities of the multiple search variables, it is possible to appropriately determine the display format of the compound's characteristics. Furthermore, by representing the compound's characteristics using the first sequence map Mb1 with multiple color maps Maa, it is possible to recognize the compound's characteristics in a single image. This allows the user to recognize the overall picture of the compound's characteristics when the compound's configuration is changed.

[0157] The characteristic display method of this embodiment includes the steps of acquiring a plurality of search variables that determine the structure of a compound when changing the structure of the compound to search for its properties, and a plurality of search data that indicate the values ​​or ranges taken by the plurality of search variables; acquiring characteristic values ​​of the compound corresponding to the plurality of search data; setting priorities of the plurality of search variables; determining a display format for the properties by assigning, among the plurality of search variables, search variables with a higher priority to coordinate axes A1 and A2 of a color map Ma that indicates the properties of the compound, and assigning search variables with a lower priority than the high-priority search variables to array direction axes A3 and A4 of a first array map Mb1 composed of an array of a plurality of color maps Ma; and generating at least one first array map Mb1 as a single image based on the search data, the characteristic values, and the display format.

[0158] In this way, by assigning each search variable to a color map Ma and a first sequence map Mb1 according to the priority of the multiple search variables, it is possible to appropriately determine the display format of the compound's characteristics. Furthermore, by representing the compound's characteristics using the first sequence map Mb1 having multiple color maps Ma, it is possible to recognize the compound's characteristics in a single image. This makes it possible to recognize the overall picture of the compound's characteristics when the compound's configuration is changed.

[0159] The program according to this embodiment is a program for causing a computer to execute processing, and the processing causes the computer to execute the following steps: acquiring a plurality of search variables that determine the structure of a compound when changing the structure of the compound to search for its properties, and a plurality of search data that indicate the values ​​or ranges that the plurality of search variables take; acquiring property values ​​of the compound corresponding to the plurality of search data; setting priorities of the plurality of search variables; determining a display format for the properties by assigning, among the plurality of search variables, search variables with a higher priority to coordinate axes A1 and A2 of a color map Ma that indicates the properties of the compound, and assigning search variables with a lower priority than the high-priority search variables to array direction axes A3 and A4 of a first array map Mb1 that is composed of an array of a plurality of color maps Ma; and generating at least one first array map Mb1 as a single image based on the search data, the property values, and the display format.

[0160] This allows one to recognize the overall picture of the properties of a compound when the structure of the compound is changed, similarly to the above-mentioned characteristic display method.

[0161] (Embodiment 2) [2-1. Configuration of characteristic display device and characteristic display system] Next, a description will be given of a characteristic display device and a characteristic display system according to embodiment 2. In embodiment 2, an example in which the characteristic display device modifies the display format will be described.

[0162] FIG. 20 is a block diagram showing the functional configuration of a characteristic display system 5A including a characteristic display device 1A according to the second embodiment.

[0163] 20 , the characteristic display system 5A includes a characteristic display device 1A, a search content input unit 10, a predictor database 13, a display unit 18, and a correction input unit 21. The characteristic display device 1A includes a search content acquisition unit 11, a data editing unit 12, a characteristic value acquisition unit 14, a priority setting unit 15, a display format determination unit 16, an image processing unit 17, and a display format correction unit 22.

[0164] The characteristic display device 1A is configured, for example, by a processor such as a CPU, volatile memory, non-volatile memory, and a program stored in the non-volatile memory. The functional configuration of the characteristic display device 1A is realized by executing the program.

[0165] The search content input unit 10, predictor database 13, and display unit 18 provided in the characteristic display system 5A have the same configurations as those in the first embodiment, and therefore their description will be omitted. The search content acquisition unit 11, data editing unit 12, characteristic value acquisition unit 14, priority setting unit 15, and display format determination unit 16 provided in the characteristic display device 1A have the same configurations as those in the first embodiment, and therefore their description will be omitted. Below, the correction input unit 21 provided in the characteristic display system 5A, and the image processing unit 17 and display format correction unit 22 provided in the characteristic display device 1A will be described. The image processing unit 17 in this embodiment may be interpreted as also having the functions of the image processing unit 17 described in the first embodiment.

[0166] The modification input unit 21 receives a user's input for modifying the display format of the compound properties, and outputs the received modification input to the display format modification unit 22 .

[0167] The display format correction unit 22 corrects the display format based on the correction input output from the correction input unit 21 , and outputs the correction content of the display format to the image processing unit 17 .

[0168] Image processing unit 17 acquires the search data and characteristic values ​​output from characteristic value acquisition unit 14, and acquires the display format modification content output from display format modification unit 22. Image processing unit 17 outputs a modification signal for modifying the display format based on the acquired search data, characteristic values, and modification content to display unit 18. Specifically, image processing unit 17 accepts modification content for modifying the assignment of coordinate axes A1 and A2 of color map Ma or array direction axes A3 and A4 of first array map Mb1 from display format modification unit 22, and generates an image showing the properties of the compound based on the modification content.

[0169] FIG. 21 is a diagram showing an example of a scene in which the display format of the compound properties is corrected in the property display system 5A.

[0170] 21 shows a method for modifying the display format by dragging and dropping and replacing search variables on the screen of the display unit 18. For example, as shown in FIG. 21, the display format may be modified by dragging and dropping other search variables that were not assigned to the coordinate axes A1, A2 and the array direction axes A3, A4 onto the array direction axis A3 or A4 of the first array map Mb1.

[0171] When the characteristic display system 5A receives such a correction input, the characteristic display system 5A may immediately correct the display format based on the correction input. In addition, the characteristic display system 5A may provide a save area for search variables on the screen of the display unit 18, and may temporarily save the search variables in this save area before replacing the search variables.

[0172] When the characteristic display system 5A receives a correction input to assign the categorical variables that are the other search variables to the coordinate axes A1 and A2 of the color map Ma, it may not correct the display format, and may display error information on the display unit 18 indicating that the display format cannot be corrected.

[0173] FIG. 22 is a diagram showing an example of search variables displayed on the screen of the display unit 18. In FIG. 22, search variables assigned to the coordinate axes A1 and A2 and the array direction axes A3 and A4 are displayed. FIG. 23 is a diagram showing an example of a predetermined color map Ma displayed enlarged on the screen of the display unit 18. In FIG. 23, compounds corresponding to the four corners of the color map Ma (compounds in the lower left corner, lower right corner, upper left corner, and upper right corner) are shown. The display formats in FIGS. 22 and 23 make it easier to recognize the currently displayed search content and enable appropriate modification of the display format.

[0174] [2-2. Processing Operation of the Characteristic Display Device, etc.] Next, the processing operation of the characteristic display device 1A, etc. according to the second embodiment will be described.

[0175] Fig. 24 is a flowchart showing an example of the processing operation of the display unit 18 included in the property display device 1A and property display system 5A according to embodiment 2. Fig. 25A, Fig. 25B, Fig. 25C, and Fig. 25D are diagrams sequentially showing scenes in which the display format of the compound properties is modified in the property display device 1A.

[0176] First, the modification input unit 21 accepts a modification input for modifying the display format for displaying the properties of a compound (S21). For example, as shown in FIG. 25A, categorical variables (M3 and M3') that are not assigned to either the coordinate axes A1, A2 or the array direction axes A3, A4 are selected by dragging, and as shown in FIG. 25B, the categorical variables (M3 and M3') are placed on the array direction axis A3 of the first array map Mb1. Then, as shown in FIG. 25C, the categorical variables (M3 and M3') are dropped onto the array direction axis A3, and a search variable replacement input is performed on the array direction axis A3.

[0177] The correction input unit 21 outputs the correction input received as described above to the display format correction unit 22 .

[0178] The display format correcting section 22 corrects the display format based on the correction input output from the correction input section 21 (S22), and outputs the correction content to the image processing section 17.

[0179] The image processing unit 17 acquires the search data and characteristic values ​​output from the characteristic value acquisition unit 14, and also acquires the correction content output from the display format correction unit 22. The image processing unit 17 outputs a correction signal to the display unit 18 to correct the display format based on the acquired characteristic values ​​and correction content (S23).

[0180] The display unit 18 displays an image based on the correction signal output from the image processing unit 17 (step S24). For example, in Fig. 25D, the replacement of the search variables on the array direction axis A3 is completed, the first array map Mb1 has four rows and six columns, and the compound properties are displayed based on the corrected display format.

[0181] In the characteristic display device 1A, the display format is corrected through the above steps S21 to S23. Note that the processing of steps S21 to S23 may be performed multiple times in response to user input.

[0182] [2-3. Effects, etc.] In the characteristic display device 1A of embodiment 2, the display format of the compound characteristics can be appropriately determined by assigning each search variable to a color map Ma and a first array map Mb1 according to the priority of the multiple search variables. Furthermore, by representing the compound characteristics using the first array map Mb1 having multiple color maps Ma, the compound characteristics can be recognized in a single image. This makes it possible to recognize the overall picture of the compound characteristics when the compound configuration is changed.

[0183] In addition, the characteristic display device 1A further includes a display format correction unit 22 that corrects the display format of the compound characteristics, and when the image processing unit 17 receives correction content from the display format correction unit 22 to correct the assignment of the coordinate axes A1, A2 of the color map Ma or the array direction axes A3, A4 of the first array map Mb1, it may generate an image showing the compound characteristics based on the correction content.

[0184] This allows the display format of the compound's properties to be appropriately modified based on the modification input, making it possible to recognize the overall picture of the compound's properties.

[0185] (Embodiment 3) [3-1. Configuration of characteristic display device and characteristic display system] A description will be given of a characteristic display device and a characteristic display system according to embodiment 3. In embodiment 3, an example will be described in which the characteristic display device does not have the function of editing search data and the function of calculating characteristic values.

[0186] FIG. 26 is a block diagram showing the functional configuration of a characteristic display system 5B including a characteristic display device 1B according to the third embodiment.

[0187] 26 , characteristic display system 5B includes characteristic display device 1B, information providing unit 10B, and display unit 18. Characteristic display device 1B includes priority setting unit 15, display format determining unit 16, and image processing unit 17. Priority setting unit 15 in this embodiment may be interpreted as having the functions of priority setting unit 15 described in embodiment 1, except that it uses the search content provided by information providing unit 10B. Similarly, display format determining unit 16 and image processing unit 17 in this embodiment may be interpreted as having the functions of display format determining unit 16 and image processing unit 17 described in embodiment 1.

[0188] The characteristic display device 1B is configured by, for example, a processor such as a CPU, a volatile memory, a non-volatile memory, and a program stored in the non-volatile memory. The functional configuration of the characteristic display device 1B is realized by executing the program.

[0189] The information providing unit 10B receives search details for compounds, for example, through user input, and provides information about the received search details to the property display device 1B. The information providing unit 10B also provides information about the property values ​​of compounds corresponding to the search details to the property display device 1B. The search details provided by the information providing unit 10B are input to the priority setting unit 15 and the image processing unit 17, and the property values ​​are input to the image processing unit 17.

[0190] The priority setting unit 15 sets priorities of search variables based on the search content provided by the information providing unit 10 B. The priority is set high when it is necessary to closely monitor changes in characteristic values ​​in response to changes in search data.

[0191] For example, the priority setting unit 15 sets the highest priority to a continuous variable having the largest number of search data items among continuous variables, discrete variables, and categorical variables. The priority setting unit 15 also sets the priority of discrete variables higher than that of categorical variables.

[0192] Furthermore, when there are multiple continuous variables, the priority setting unit 15 sets a higher priority for a continuous variable with a larger number of search data. Exceptionally, the priority setting unit 15 sets the highest priority for a continuous variable whose minimum search data value is 0, whose maximum search data value is 1, and whose number of search data items is five or more. Furthermore, when the number of search data items is the same, the priority setting unit 15 sets the priority to the same level. Even when there are three or more continuous variables, the priority setting unit 15 sets the priority based on the number of search data items.

[0193] Furthermore, when there are multiple discrete variables, the priority setting unit 15 sets a higher priority for the discrete variables with a larger number of search data. Furthermore, when the number of search data is the same, the priority setting unit 15 sets the priority to the same level. Even when there are three or more discrete variables, the priority setting unit 15 sets the priority based on the number of search data.

[0194] Furthermore, when there are multiple categorical variables, the priority setting unit 15 sets a higher priority for a categorical variable with a larger number of search data. Furthermore, when the number of search data is the same, the priority setting unit 15 sets the priority to the same level. Even when there are three or more categorical variables, the priority setting unit 15 sets the priority based on the number of search data.

[0195] The priority setting unit 15 outputs the result of the priority setting to the display format determination unit 16 .

[0196] The display format determination unit 16 determines the display format of the compound characteristics based on the priority setting results output from the priority setting unit 15. The display format determination unit 16 determines the display format of the compound characteristics by assigning search variables with high priority among the multiple search variables to the coordinate axes A1 and A2 of the color map Ma, and assigning search variables with lower priority than the high-priority search variables to the array direction axes A3 and A4 of the first array map Mb1.

[0197] The color map Ma has a coordinate axis A1 which is the horizontal axis and a coordinate axis A2 which is the vertical axis. The first array map Mb1 is in a matrix form and has an array direction axis A3 which is the horizontal axis and an array direction axis A4 which is the vertical axis.

[0198] The display format determination unit 16 assigns two variables with the first and second highest priorities among the continuous variables, discrete variables, and categorical variables to the two coordinate axes A1 and A2 of the color map Ma. Furthermore, the display format determination unit 16 assigns two variables with the highest priorities among the variables not assigned to the coordinate axes A1 and A2 of the color map Ma, i.e., the two variables with the third and fourth highest priorities, to the two array direction axes A3 and A4 of the first array map Mb1.

[0199] If there are other search variables among the multiple search variables that are not assigned to the coordinate axes A1, A2 and the array direction axes A3, A4, the display format determination unit 16 may determine to display images based on the other search variables in another region T1 different from the color map Ma and the first array map Mb1. For example, the display format determination unit 16 may switch and display images based on the other search variables using a scroll bar on the screen.

[0200] The display format determination unit 16 outputs the determined display format to the image processing unit 17 .

[0201] The image processing unit 17 acquires the search content and characteristic values ​​output from the information providing unit 10B and acquires the display format output from the display format determining unit 16. The image processing unit 17 generates an image showing the properties of the compound based on the acquired search content, characteristic values, and display format. Specifically, the image processing unit 17 generates a first sequence map Mb1 including multiple color maps Ma as a single image. That is, the image processing unit 17 visualizes information showing the properties of the compound based on the acquired search content, characteristic values, and display format. The image processing unit 17 outputs a signal including image information of the color map Ma and the first sequence map Mb1 to the display unit 18.

[0202] The display unit 18 is an output unit that outputs an image showing the properties of the compound. The display unit 18 is, for example, a display device such as a liquid crystal panel, and displays an image based on the signal output from the image processing unit 17.

[0203] [3-2. Processing Operation of the Characteristic Display Device, etc.] Next, the processing operation of the characteristic display device 1B, etc. according to the third embodiment will be described.

[0204] FIG. 27 is a flowchart showing an example of the processing operation of the display unit 18 included in the characteristic display device 1B and the characteristic display system 5B.

[0205] First, the priority setting unit 15 acquires the search content output from the information providing unit 10B and sets a priority for each search variable included in the search content (step S33). For example, the priority setting unit 15 sets the highest priority for a continuous variable with the largest number of search data items among continuous variables, discrete variables, and categorical variables. The priority setting unit 15 also sets the priority of discrete variables higher than that of categorical variables. The priority setting unit 15 outputs the priority setting results to the display format determining unit 16.

[0206] The display format determination unit 16 determines the display format of the compound characteristics based on the priority setting results output from the priority setting unit 15 (step S34). Specifically, the display format determination unit 16 determines the display format of the compound characteristics by assigning search variables with high priority among the multiple search variables to the coordinate axes A1 and A2 of the color map Ma and assigning search variables with lower priority than the high-priority search variables to the array direction axes A3 and A4 of the first array map Mb1. The display format determination unit 16 outputs the display format determined as described above to the image processing unit 17.

[0207] The image processing unit 17 executes a process of generating an image showing the properties of the compound based on the search data and characteristic values ​​output from the information providing unit 10B and the display format output from the display format determining unit 16 (step S35). The image processing unit 17 generates a first sequence map Mb1 including a plurality of color maps Ma as a single image based on the acquired search data, characteristic values, and display format. The image processing unit 17 outputs a signal showing the generated image to the display unit 18.

[0208] The display unit 18 displays an image based on the signal output from the image processing unit 17 (step S36). The characteristic display device 1B and the display unit 18 display the characteristics of the compound through the processing operations of steps S33 to S36.

[0209] 3-3. Effects, etc. As described above, the property display device 1B according to this embodiment includes a priority setting unit 15 that sets priorities of multiple search variables that determine the structure of a compound when the compound's properties are searched for by changing the structure of the compound; a display format determination unit 16 that determines a display format for the properties by assigning a search variable with a high priority among the multiple search variables to coordinate axes A1, A2 of a color map Ma that indicates the properties of the compound and assigning a search variable with a lower priority than the high-priority search variable to array direction axes A3, A4 of a first array map Mb1 formed by arranging a plurality of color maps Ma; and an image processing unit 17 that generates at least one first array map Mb1 as a single image based on the display format.

[0210] In this way, by assigning each search variable to a color map Ma and a first sequence map Mb1 according to the priority of the multiple search variables, it is possible to appropriately determine the display format of the compound's characteristics. Furthermore, by representing the compound's characteristics using the first sequence map Mb1 having multiple color maps Ma, it is possible to recognize the compound's characteristics in a single image. This makes it possible to recognize the overall picture of the compound's characteristics when the compound's configuration is changed.

[0211] (Other Embodiments) While the characteristic display device and the like according to the present disclosure have been described above based on the embodiments, the present disclosure is not limited to these embodiments. As long as they do not deviate from the spirit of the present disclosure, various modifications conceivable by a person skilled in the art to the present embodiments, and configurations constructed by combining components of different embodiments, are also included within the scope of the present disclosure.

[0212] For example, in the above embodiment, the color map Ma is represented by gradually changing the shade of color, but this is not limiting. For example, the color map Ma may be represented by smoothly changing the shade of color in a gradation pattern, or by differences in the density of dots. Furthermore, the color map Ma may be represented by differences in the hues of chromatic colors, or by achromatic colors such as white, gray, and black.

[0213] For example, the characteristic display device may be specifically configured as a computer system including a microprocessor, ROM, RAM, hard disk drive, display unit, keyboard, mouse, etc. A characteristic display program is stored in the RAM or hard disk drive. The characteristic display device achieves its functions when the microprocessor operates in accordance with the characteristic display program. Here, the characteristic display program is configured by combining multiple instruction codes that indicate commands to the computer to achieve a predetermined function.

[0214] Furthermore, some or all of the components constituting the characteristic display device may be configured as a single system LSI (Large Scale Integration). A system LSI is an ultra-multifunctional LSI manufactured by integrating multiple components on a single chip, and specifically, is a computer system including a microprocessor, ROM, RAM, etc. A computer program is stored in the RAM. The system LSI achieves its functions by the microprocessor operating in accordance with the computer program.

[0215] Furthermore, some or all of the components constituting the above-mentioned characteristic display device may be configured as an IC card or a standalone module that can be attached to or detached from a computer. The IC card or module is a computer system composed of a microprocessor, ROM, RAM, etc. The IC card or module may include the above-mentioned ultra-multifunctional LSI. The IC card or module achieves its functions when the microprocessor operates according to a computer program. This IC card or module may be tamper-resistant.

[0216] The present disclosure may also be a characteristic display method executed by the characteristic display device. The characteristic display method may be realized by a computer executing a characteristic display program, or may be realized by a digital signal comprising the characteristic display program.

[0217] Furthermore, the present disclosure may be configured as a computer-readable non-transitory recording medium containing the characteristic display program or the digital signal. Examples of the recording medium include a flexible disk, a hard disk, a CD-ROM, an MO, a DVD, a DVD-ROM, a DVD-RAM, a BD (Blu-ray (registered trademark) Disc), and a semiconductor memory. The characteristic display program may be configured as the digital signal recorded on a non-transitory recording medium.

[0218] Furthermore, the present disclosure may be configured by transmitting the characteristic display program or the digital signal via a telecommunications line, a wireless or wired communication line, a network such as the Internet, or data broadcasting, etc.

[0219] The present disclosure may also provide a computer system including a microprocessor and a memory, the memory storing a characteristic display program, and the microprocessor operating in accordance with the characteristic display program.

[0220] The characteristic display program or the digital signal may also be implemented by another independent computer system by recording it on the non-transitory recording medium and transferring it, or by transferring the characteristic display program or the digital signal via the network or the like.

[0221] The characteristic display system may also be configured with a server and a terminal carried by a user that is connected to the server via a network.

[0222] INDUSTRIAL APPLICABILITY The present disclosure is useful in material development for recognizing the overall characteristics of compounds and obtaining compounds with desired characteristics.

[0223] 1, 1A, 1B Characteristic display device 5, 5A, 5B Characteristic display system 10 Search content input section 10B Information provision section 11 Search content acquisition section 12 Data editing section 13 Predictor database 14 Characteristic value acquisition section 15 Priority setting section 16 Display format determination section 17 Image processing section 18 Display section 21 Correction input section 22 Display format correction section A1, A2, A1a, A2a Coordinate axes A3, A4, A5, A6 Array direction axes Ma, Maa Color map Mb1 First array map Mb2 Second array map T1 Other areas

Claims

1. A characteristic display device comprising: a search content acquisition unit that acquires a plurality of search variables that determine the structure of a compound when the structure of the compound is changed to search for the properties of the compound, and a plurality of search data that indicate the values ​​or ranges that the plurality of search variables take; a characteristic value acquisition unit that acquires characteristic values ​​of the compound corresponding to the plurality of search data; a priority setting unit that sets the priorities of the plurality of search variables; a display format determination unit that determines a display format of the properties of the compound by assigning a search variable with a high priority among the plurality of search variables to a coordinate axis of a color map that indicates the properties of the compound, and assigning a search variable with a lower priority than the high-priority search variable to an array direction axis of a first array map composed of a plurality of the color maps; and an image processing unit that generates at least one of the first array maps as a single image based on the search data, the characteristic values, and the display format.

2. The characteristic display device according to claim 1, wherein the search variables are provided for continuous variables, discrete variables and categorical variables, the continuous variables have a larger number of search data items than the discrete variables and the categorical variables, the priority setting unit sets the continuous variables to the highest priority when setting the priorities, and the display format determination unit assigns the continuous variables to the coordinate axes of the color map.

3. The characteristic display device according to claim 2, wherein the categorical variable is at least one of the elements constituting the compound and the manufacturing method of the compound to form the compound, and each of the continuous variable and the discrete variable is at least one of a numerical value for determining the composition ratio of the compound and the manufacturing method of the compound to form the compound.

4. The characteristic display device according to claim 2 or 3, wherein the continuous variable is a variable in which the maximum value of the search data is 1, the minimum value is 0, and the number of the search data is five or more.

5. A characteristic display device according to any one of claims 2 to 4, wherein when there are multiple continuous variables, the priority setting unit sets the priority of a continuous variable with a larger number of search data items to a higher value.

6. A characteristic display device according to any one of claims 2 to 5, wherein when there are multiple discrete variables, the priority setting unit sets the priority of the multiple discrete variables higher for the discrete variable with a larger number of search data.

7. A characteristic display device according to any one of claims 2 to 6, wherein when there are multiple categorical variables, the priority setting unit sets the priority of the multiple categorical variables higher for a categorical variable with a larger number of search data.

8. A characteristic display device according to any one of claims 2 to 7, wherein the display format determination unit assigns the variables with the first and second highest priorities among the continuous variables, the discrete variables, and the categorical variables to the two coordinate axes of the color map, and assigns the variables with the third and fourth highest priorities to the two array direction axes of the first array map.

9. A characteristic display device according to any one of claims 2 to 8, wherein the characteristic value acquisition unit fixes the search data except for one search variable among the plurality of search variables, calculates the amount of change in the characteristic value when the one search variable is changed for all combinations of search variables for which the search data is fixed, and calculates the average value of the amount of change in the characteristic value for each of the continuous variables, the discrete variables, and the categorical variables, and the priority setting unit sets the priority high for a variable among the continuous variables, the discrete variables, and the categorical variables that has a smaller average amount of change in the characteristic value.

10. A characteristic display device as described in any one of claims 2 to 9, wherein the priority setting unit sets the priority of the categorical variable lower than that of the search variable with a lower priority, and the display format determination unit assigns the categorical variable to neither the coordinate axis of the color map nor the array direction axis of the first array map, but to another area different from the color map and the first array map.

11. The characteristic display device described in claim 10, wherein the display format determination unit, when there are multiple categorical variables, assigns the categorical variable with the highest priority among the multiple categorical variables to the array direction axis of a second array map composed of multiple first array maps, and the image processing unit generates an image showing the characteristics of the compound based on the search data, the characteristic value, and the display format.

12. A characteristic display device as described in any one of claims 2 to 7, wherein the display format determination unit assigns the variables with the first and second highest priorities among the continuous variables, the discrete variables, and the categorical variables to the two coordinate axes of the color map, assigns the variables with the third and fourth highest priorities to the two array direction axes of the first array map, and assigns the variables with the fifth and sixth highest priorities to the two array direction axes of a second array map composed of a plurality of the first array maps, and the image processing unit generates an image showing the characteristics of the compound based on the search data, the characteristic value, and the display format.

13. A property display device according to any one of claims 1 to 12, further comprising a data editing unit that executes all possible combinations of the search data and generates combined search data, and the property value acquisition unit calculates the property value of the compound for the combined search data to acquire the property value.

14. A characteristic display device according to any one of claims 1 to 13, further comprising a display format correction unit that corrects the display format of the characteristics of the compound, and when the image processing unit receives from the display format correction unit correction content for correcting the assignment of the coordinate axes of the color map or the array direction axes of the first array map, it generates an image showing the characteristics of the compound based on the correction content.

15. A characteristic display device comprising: a search content acquisition unit that acquires a plurality of search variables that determine the structure of a compound when the structure of the compound is changed to search for the characteristics of the compound, and a plurality of search data that indicate the values ​​or ranges that the plurality of search variables take; and an image processing unit that displays the characteristics of the compound in a manner in which, of the plurality of search variables, a search variable with a high priority is assigned to the coordinate axis of a color map that indicates the characteristics of the compound, and a search variable with a lower priority than the high-priority search variable is assigned to the array direction axis of a first array map composed of a plurality of the color maps arranged.

16. A characteristic display device as described in claim 15, wherein the search variables are provided for continuous variables and discrete variables having a smaller number of search data than the continuous variables, and the image processing unit generates an image showing the characteristics of the compound in a manner in which two of the continuous variables are assigned to two coordinate axes of the color map represented by a rectangular diagram, and in a manner in which two of the discrete variables are assigned to two array direction axes of a first array map composed of a plurality of the color maps arranged.

17. The characteristic display device described in claim 15, wherein the search variables are provided for continuous variables and categorical variables having a smaller number of search data items than the continuous variables, and the image processing unit generates an image showing the characteristics of the compound in a manner in which two of the continuous variables are assigned to two coordinate axes of the color map represented by a ternary diagram, and in a manner in which two of the categorical variables are assigned to two array direction axes of a first array map composed of a plurality of the color maps arranged.

18. A characteristic display device comprising: a priority setting unit that sets priorities of multiple search variables that determine the configuration of a compound when changing the configuration of the compound to search for the characteristics of the compound; a display format determination unit that determines a display format of the characteristics by assigning a search variable with a high priority among the multiple search variables to a coordinate axis of a color map that shows the characteristics of the compound and assigning a search variable with a lower priority than the high-priority search variable to an array direction axis of a first array map that is composed of a plurality of color maps arranged; and an image processing unit that generates at least one of the first array maps as a single image based on the display format.

19. A characteristic display method comprising the steps of: acquiring a plurality of search variables that determine the structure of a compound when changing the structure of the compound and searching for the properties of the compound, and a plurality of search data that indicate the values ​​or ranges that the plurality of search variables take; acquiring characteristic values ​​of the compound corresponding to the plurality of search data; setting the priorities of the plurality of search variables; determining a display format for the characteristics by assigning a search variable with a higher priority among the plurality of search variables to a coordinate axis of a color map that indicates the properties of the compound, and assigning a search variable with a lower priority than the high-priority search variable to an array direction axis of a first array map composed of a plurality of color maps; and generating at least one of the first array maps as a single image based on the search data, the characteristic values, and the display format.

20. A program for causing a computer to execute processing, the processing including the steps of: acquiring a plurality of search variables that determine the structure of a compound when changing the structure of the compound to search for its properties, and a plurality of search data indicating the values ​​or ranges that the plurality of search variables take; acquiring characteristic values ​​of the compound corresponding to the plurality of search data; setting priorities of the plurality of search variables; determining a display format for the properties by assigning a search variable with a higher priority among the plurality of search variables to a coordinate axis of a color map that indicates the properties of the compound, and assigning a search variable with a lower priority than the high-priority search variable to an array direction axis of a first array map composed of a plurality of color maps; and generating at least one of the first array maps as a single image based on the search data, the characteristic values, and the display format.

21. An expression including a first expression is received, and the first expression is (M3 １－ｘ M3' ｘ ) ａ (M4 １－ｙ M4' ｙ ) １＋ｂ wherein x represents a first discrete variable, y represents a second discrete variable, a represents a third discrete variable, b represents a fourth discrete variable, M3 and M3' are different element symbols, and M4 and M4' are different element symbols; receiving a value of the first discrete variable, a value of the second discrete variable, a value of the third discrete variable, and a value of the fourth discrete variable, wherein the number of values ​​of the first discrete variable is m, the number of values ​​of the second discrete variable is n, the number of values ​​of the third discrete variable is p, and the number of values ​​of the fourth discrete variable is q; receiving a plurality of characteristic values ​​of a specific property of a plurality of compounds represented by the formula, wherein the plurality of compounds correspond to the plurality of characteristic values, respectively; generating a first image; displaying the generated first image on a display; the first image includes a plurality of graphs, each of which has a first axis representing a first variable and a second axis representing a second variable, and which shows a plurality of characteristic values ​​of the specific property; m×n≧p×q, the plurality of graphs are arranged on the first image in a matrix having s columns and t rows, wherein (the first variable, the second variable) = (x, y) or (the first variable, the second variable) = (y, x), and (s, t) = (p, q) or (s, t) = (q, p), and when (s, t) = (p, q), the plurality of values ​​of the specific characteristic shown in the plurality of graphs arranged in the same column are determined under the condition that the plurality of values ​​of the third discrete variable are identical, and the plurality of values ​​of the specific characteristic shown in the plurality of graphs arranged in the same row are determined under the condition that the plurality of values ​​of the fourth discrete variable are identical, and when (s, t) = (q, p), the plurality of values ​​of the specific characteristic shown in the plurality of graphs arranged in the same column are determined under the condition that the plurality of values ​​of the fourth discrete variable are identical, and the plurality of values ​​of the specific characteristic shown in the plurality of graphs arranged in the same row are determined under the condition that the plurality of values ​​of the third discrete variable are identical.

22. The method of claim 21, wherein the particular characteristic is bandgap; the values ​​of the first discrete variable are 0.0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0; the values ​​of the second discrete variable are 0.0, 0.1, 0.2, 0.3, 0.4, 0.5, 0.6, 0.7, 0.8, 0.9, 1.0; the values ​​of the third discrete variable a1, ..., ap include 0.0, 0.05, 0.10, 0.15, 0.2; and the values ​​of the fourth discrete variable include 0.0, 0.1, 0.2, 0.3.

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