Design support device, design support method, and program

Abstract

A design support device for supporting the design of a first compound and the design of a second compound containing the first compound, said design support device comprising: a first design condition proposal unit that is configured so as to propose a candidate for design-condition information for the first compound, said candidate satisfying inputted characteristic-requirement information for the first compound; and a first characteristic prediction unit that is configured, on the basis of inputted design-condition information for the second compound, so as to perform a characteristic prediction for the second compound.

Description

Design support device, design support method, and program

[0001] The present disclosure relates to a design support device, a design support method, and a program.

[0002] For example, a system has been known that acquires composition data and characteristic data of a photosensitive resin composition, and executes a model learning process that outputs recommended composition data in response to input of target characteristic data using learning data including the acquired composition data and characteristic data. In the conventional system, by inputting target characteristic data into the model, a recommended composition for producing a photosensitive resin composition having target characteristics is output (see, for example, Patent Document 1).

[0003] Japanese Patent Application Laid-Open No. 2020-77346

[0004] For example, a design support device that supports the design of a resin composition (second compound) containing a polymer (first compound) would be useful if it had a technology suitable for adjusting the properties of the polymer to control the properties of the resin composition. However, Patent Document 1 does not describe such content.

[0005] An object of the present disclosure is to provide a design support device, a design support method, and a program suitable for designing a first compound and a second compound containing the first compound.

[0006] The present disclosure has the following configuration.

[0007] [1] A design support device that supports the design of a first compound and the design of a second compound containing the first compound, comprising: a first design condition proposing unit configured to propose candidates for design condition information of the first compound that satisfy input required characteristic information of the first compound; and a first characteristic predicting unit configured to predict characteristics of the second compound based on the input design condition information of the second compound.

[0008] [2] The design support device according to [1], further comprising: a second design condition proposal unit configured to propose candidates for design condition information of the second compound that satisfy input required characteristic information of the second compound; a second characteristic prediction unit configured to predict characteristics of the first compound based on input design condition information of the first compound; and a control unit configured to support the design of the first compound using the first design condition proposal unit or the second characteristic prediction unit, and to support the design of the second compound using the second design condition proposal unit or the first characteristic prediction unit.

[0009] [3] A design support device that supports the design of a first compound and the design of a second compound containing the first compound, comprising: a second characteristic prediction unit configured to predict characteristics of the first compound based on input design condition information of the first compound; and a second design condition proposal unit configured to propose candidates for design condition information of the second compound that satisfy the input required characteristic information of the second compound.

[0010] [4] The design support device according to [3], further comprising: a first design condition proposal unit configured to propose candidates for design condition information of the first compound that satisfy input required characteristic information of the first compound; a first characteristic prediction unit configured to predict characteristics of the second compound based on input design condition information of the second compound; and a control unit configured to support the design of the first compound using the first design condition proposal unit or the second characteristic prediction unit, and to support the design of the second compound using the second design condition proposal unit or the first characteristic prediction unit.

[0011] [5] The design support device according to [2] or [4], wherein the control unit is configured to use the second characteristic prediction unit to predict the characteristics of the first compound based on design condition information of the first compound, and to use the first characteristic prediction unit to predict the characteristics of the second compound based on design condition information of the second compound containing the first compound for which the characteristic prediction was performed.

[0012] [6] The design support device according to [2] or [4], wherein the control unit is configured to use the first design condition proposal unit to propose candidates for design condition information of the first compound that satisfy required property information of the first compound, and to use the first property prediction unit to predict properties of the second compound based on design condition information of the second compound containing the first compound that is one of the candidates for design condition information.

[0013] [7] The design support device according to [2] or [4], wherein the control unit is configured to use the second property prediction unit to predict properties of the first compound based on design condition information of the first compound, and to use the second design condition proposal unit to propose candidates for design condition information of the second compound that satisfy required property information of the second compound containing the first compound for which the property prediction has been performed.

[0014] [8] The design support device according to [2] or [4], wherein the control unit is configured to use the first design condition proposal unit to propose candidates for design condition information of the first compound that satisfy required property information of the first compound, and to use the second design condition proposal unit to propose candidates for design condition information of the second compound that satisfy required property information of the second compound containing the first compound that is one of the candidates for design condition information.

[0015] [9] The design support device according to [8], wherein the second design condition proposing unit is configured to propose candidates for the properties of the first compound that satisfy required property information of the second compound.

[0016]

[10] The computer aided design device according to any one of [2], [4], [5], or [7], further comprising: a storage unit configured to store a result of the characteristic prediction of the first compound performed by the second characteristic prediction unit based on design condition information of the first compound, wherein the first characteristic prediction unit is configured to use the design condition information of the first compound and the result of the characteristic prediction of the first compound read from the storage unit, for inputting design condition information of the second compound and predicting the characteristics of the second compound.

[0017]

[11] The design support device according to any one of [2] to

[10] , wherein the first design condition proposal unit and the second design condition proposal unit are configured to receive the required characteristic information and range information of the design condition information as input, and propose candidates for the design condition information of the first compound or the second compound that satisfy the required characteristic information of the first compound or the second compound within the range of the input range information.

[0018]

[12] The design support device according to

[11] , wherein the first design condition proposal unit and the second design condition proposal unit are configured to generate exhaustive search points within the range of the input range information, and propose candidates for the design condition information of the first compound or the second compound that satisfy required characteristic information of the first compound or the second compound based on results of characteristic prediction of the first compound or the second compound performed using the exhaustive search points.

[0019]

[13] The design support device according to any one of [1] to

[12] , wherein the first compound is a polymer polymerized from a monomer, and the second compound is a resin composition containing the polymer.

[0020]

[14] A design support method in which a computer supports the design of a first compound and the design of a second compound containing the first compound, the design support method including: a design condition proposing step of proposing candidates for design condition information of the first compound that satisfy input required property information of the first compound; and a property prediction step of predicting the properties of the second compound based on the input design condition information of the second compound.

[0021]

[15] A program for causing a computer that assists in the design of a first compound and the design of a second compound containing the first compound to execute: a design condition proposing procedure for proposing candidates for design condition information of the first compound that satisfy input required property information of the first compound; and a property prediction procedure for predicting the properties of the second compound based on the input design condition information of the second compound.

[0022] According to the present disclosure, it is possible to provide a design support device, a design support method, and a program suitable for designing a first compound and a second compound containing the first compound.

[0023] FIG. 1 is a configuration diagram of an example of an information processing system according to the present embodiment. FIG. 1 is a hardware configuration diagram of an example of a computer according to the present embodiment. FIG. 2 is a functional configuration diagram of an example of an information processing system according to the present embodiment. FIG. 3 is an explanatory diagram showing an example of polymer synthesis and resin composition creation according to the present embodiment. FIG. 4 is an explanatory diagram showing an example of forward problem analysis according to the present embodiment. FIG. 5 is an explanatory diagram showing an example of forward problem analysis according to the present embodiment. FIG. 6 is an explanatory diagram showing an example of inverse problem analysis according to the present embodiment. FIG. 7 is an explanatory diagram showing an example of inverse problem analysis according to the present embodiment. FIG. 8 is a flowchart showing an example of a processing procedure of the information processing system according to the present embodiment. FIG. 9 is an image diagram of an example of a design mode selection screen. FIG. 10 is a flowchart of an example of a polymer design support process using forward problem analysis and a resin composition design support process using forward problem analysis. FIG. 11 is a configuration diagram showing an example of polymer design condition information. FIG. 12 is a configuration diagram showing an example of polymer property prediction information. FIG. 13 is a configuration diagram showing an example of resin composition design condition information. FIG. 14 is a configuration diagram showing an example of resin composition property prediction information. FIG. 15 is a flowchart of an example of a polymer design support process using inverse problem analysis and a resin composition design support process using forward problem analysis. FIG. 16 is a configuration diagram showing an example of required property information of a polymer and a resin composition. FIG. 17 is a configuration diagram showing an example of range information of polymer design condition information. FIG. 18 is a configuration diagram showing an example of resin composition design condition information. 1 is a configuration diagram showing an example of information on a proposed polymer. FIG. 2 is a screen image of an example of displaying information on a proposed polymer. FIG. 3 is a flowchart of an example of a polymer design support process using forward problem analysis and a resin composition design support process using inverse problem analysis. FIG. 4 is a configuration diagram showing an example of required property information on a resin composition. FIG. 5 is a configuration diagram showing an example of range information on design condition information for a resin composition. FIG. 6 is a configuration diagram showing an example of information on a proposed resin composition. FIG. 7 is a flowchart of an example of a polymer design support process using inverse problem analysis and a resin composition design support process using inverse problem analysis. FIG. 8 is a configuration diagram showing an example of information on a proposed polymer. FIG. 9 is a configuration diagram showing an example of range information on design condition information for a resin composition. FIG. 10 is a configuration diagram showing an example of information on a proposed resin composition.FIG. 1 is a flowchart of an example of a polymer design support process using inverse problem analysis and a resin composition design support process using inverse problem analysis. FIG. 1 is a configuration diagram showing an example of range information of polymer property prediction information. FIG. 2 is a configuration diagram showing an example of information on a proposed polymer. FIG. 3 is a configuration diagram showing an example of information on a proposed polymer. FIG. 4 is a configuration diagram showing an example of information on a proposed polymer. FIG. 5 is a configuration diagram showing an example of information on a proposed polymer. FIG. 6 is a flowchart of an example of processing for registering and using design condition information and property prediction information. FIG. 7 is a configuration diagram showing an example of information on a polymer property prediction. FIG. 8 is a configuration diagram showing an example of processing for registering and using design condition information and property prediction information of a polymer. FIG. 9 is a configuration diagram showing an example of processing for registering and using design condition information and property prediction information of a polymer.

[0024] Next, an embodiment of the present invention will be described in detail. Note that the present invention is not limited to the following embodiment. In this embodiment, a polymer and a resin composition containing the polymer will be described as examples of a first compound and a second compound containing the first compound.

[0025] [First Embodiment] <System Configuration> Fig. 1 is a configuration diagram of an example of an information processing system according to this embodiment. The information processing system in Fig. 1 includes a design support device 10 and a user terminal 12. The design support device 10 and the user terminal 12 are connected to each other so as to be able to communicate data with each other via a communication network 18 such as a local area network (LAN) or the Internet.

[0026] The user terminal 12 is an information processing terminal operated by an operator, such as a PC, tablet terminal, or smartphone. The user terminal 12 displays a screen on a display device for accepting information input from the operator and accepts the information input from the operator. The user terminal 12 also transmits the information accepted as input from the operator to the design support device 10, which executes processing related to the design and property prediction of polymers and resin compositions. The user terminal 12 receives information on the processing results executed by the design support device 10 and displays it on a display device for the operator to confirm.

[0027] The design support device 10 is an information processing device such as a PC that supports the design of polymers and resin compositions. The design support device 10 performs inverse problem analysis to propose candidate design conditions that satisfy required properties, and forward problem analysis to predict properties based on the design conditions. The design support device 10 supports the design of polymers and resin compositions by combining the design (search and optimization) of polymers and resin compositions using inverse problem analysis with the prediction of polymer and resin composition properties using forward problem analysis.

[0028] Specifically, the combination of design support can be a combination of polymer design using inverse problem analysis and prediction of resin composition properties using forward problem analysis, a combination of polymer design using forward problem analysis and resin composition design using inverse problem analysis, a combination of polymer design using forward problem analysis and prediction of resin composition properties using forward problem analysis, or a combination of polymer design using inverse problem analysis and resin composition design using inverse problem analysis.

[0029] For example, the design support device 10 is effective in searching for and optimizing (inverse problem analysis) the design conditions for a polymer when synthesizing the polymer from a monomer, and then evaluating (forward problem analysis) the properties of a resin composition in which a polymerization initiator, a sensitizer, an adhesive, a plasticizer, etc. are mixed with the synthesized polymer.

[0030] In the forward problem analysis for predicting characteristics based on design conditions, a mathematical model such as a machine learning model that learns the correspondence between design conditions and characteristics can be used. As the machine learning method, for example, a supervised learning method such as linear, generalized linear (lasso, ridge, elastic net, logistic), partial least squares, kernel ridge, Gaussian process, k-nearest neighbor method, decision tree, random forest, Adaboost, bagging, gradient boosting, support vector machine, or neural network can be used.

[0031] Inverse problem analysis, which proposes candidate design conditions that satisfy required characteristics, requires the user to input the required characteristics and the range of design conditions, and generates exhaustive search points within the range of design conditions, either randomly or at a predetermined interval. Furthermore, inverse problem analysis, which proposes candidate design conditions that satisfy required characteristics, predicts the characteristics corresponding to each exhaustive search point using a mathematical model, and extracts exhaustive search points for characteristics that satisfy the required characteristics, thereby obtaining candidate design conditions that satisfy the desired required characteristics.

[0032] Inverse problem analysis that proposes candidate design conditions that satisfy the required characteristics may use optimization methods such as genetic algorithms, simulated annealing, cluster algorithms, and extended ensemble methods (e.g., multicanonical methods, simulated tempering methods, replica exchange Monte Carlo methods (parallel tempering methods)).

[0033] When predicting the properties of polymers and resin compositions using a mathematical model, the blending amounts of each raw material may be input as explanatory variables, or information that does not directly indicate physicochemical properties, for example, the brand name of the polymer or resin composition may be described as a dummy variable represented by "0" or "1" and used as an explanatory variable. Furthermore, when predicting the properties of polymers and resin compositions using a mathematical model, explanatory variables may be created and input based on information that quantifies the structural characteristics of the molecules that serve as raw materials or information that quantifies the chemical characteristics of the molecules, and the blending amounts thereof.

[0034] One example of a method for quantifying structural features of a molecule is Extended Circular Fingerprints (hereinafter referred to as ECFP), which extracts the types and numbers of all substructures and expresses them as vectors (columns: types, values: numbers) to quantify the structural features of a molecule.

[0035] The partial structure can be expressed using a notation such as the Simplified Molecular Input Line Entry System (hereinafter referred to as SMILES) notation. ECFP can calculate the structural features of a molecule by, for example, inputting additive information expressed in SMILES notation into an existing library. Another example of a method for quantifying the structural features of a molecule is a graph convolutional neural network. Graph convolutional neural networks can calculate the structural features of a molecule by, for example, inputting additive information expressed in SMILES notation into an existing library.

[0036] Furthermore, one example of a method for quantifying the chemical characteristics of a molecule is to extract the physical property information of the molecule and express it as a vector (column: physical property information, value: numerical value), thereby quantifying the chemical characteristics of the molecule. The method for quantifying the chemical characteristics of a molecule can calculate the chemical characteristics of a molecule by, for example, inputting information on additives expressed in SMILES notation into an existing library.

[0037] The molecular property information includes, for example, molecular weight, number of valence electrons, partial charge, number of amino groups, number of hydroxyl groups, etc. Furthermore, the molecular property information may be a property value that can be calculated using quantum chemistry calculation software, such as HOMO, LUMO, charge, refractive index, or vibrational frequency, or a property value that can be measured experimentally, such as melting point, viscosity, or specific surface area.

[0038] The design support device 10 receives information input by an operator into a user terminal 12 and executes processing related to the design and property prediction of polymers and resin compositions. The design support device 10 transmits information on the processing results to the user terminal 12 and displays the information on the user terminal 12 for the operator to confirm. The information processing system in FIG. 1 can be realized, for example, by the design support device 10 having a web server function and the user terminal 12 that executes a web application using a web browser function.

[0039] The information processing system in Figure 1 is merely an example, and it goes without saying that there are various system configuration examples depending on the application and purpose. For example, the design support device 10 may be realized by multiple computers, or may be realized as a cloud computing service. Furthermore, the information processing system in Figure 1 may be realized by a stand-alone computer.

[0040] <Hardware Configuration> The design support device 10 and the user terminal 12 in FIG. 1 are realized by, for example, a computer 500 having the hardware configuration shown in FIG.

[0041] Fig. 2 is a diagram showing an example of the hardware configuration of a computer according to this embodiment. The computer 500 in Fig. 2 includes an input device 501, a display device 502, an external I / F 503, a RAM 504, a ROM 505, a CPU 506, a communication I / F 507, and an HDD 508, all of which are interconnected by a bus B. The input device 501 and the display device 502 may be connected to each other for use.

[0042] The input device 501 includes a touch panel, operation keys, buttons, a keyboard, a mouse, etc., which are used by the user to input various signals. The display device 502 includes a display such as a liquid crystal or organic EL display for displaying a screen, a speaker for outputting audio data such as voice and sound, etc. The communication I / F 507 is an interface for the computer 500 to perform data communication.

[0043] The HDD 508 is an example of a non-volatile storage device that stores programs and data. The stored programs and data include an OS, which is basic software that controls the entire computer 500, and applications that provide various functions on the OS. Note that the computer 500 may use a drive device that uses flash memory as a storage medium (e.g., a solid-state drive (SSD)) instead of the HDD 508.

[0044] The external I / F 503 is an interface with an external device. The external device may be a recording medium 503a. This allows the computer 500 to read and / or write data from and to the recording medium 503a via the external I / F 503. The recording medium 503a may be a flexible disk, a CD, a DVD, an SD memory card, a USB memory, or the like.

[0045] The ROM 505 is an example of a non-volatile semiconductor memory (storage device) that can retain programs and data even when the power is turned off. The ROM 505 stores programs and data such as the BIOS, OS settings, and network settings that are executed when the computer 500 starts up. The RAM 504 is an example of a volatile semiconductor memory (storage device) that temporarily retains programs and data.

[0046] The CPU 506 is a computing device that reads programs and data from storage devices such as the ROM 505 and HDD 508 onto the RAM 504 and executes processing to realize overall control and functions of the computer 500. By executing programs, the computer 500 according to this embodiment can realize various functions of the design support device 10 and the user terminal 12, which will be described later.

[0047] <Functional Configuration> The functional configuration of the information processing system according to this embodiment will be described. Fig. 3 is a functional configuration diagram of an example of an information processing system according to this embodiment. Note that the configuration diagram in Fig. 3 appropriately omits portions that are not necessary for the explanation of this embodiment. Fig. 4 is an explanatory diagram showing an example of polymer synthesis and resin composition preparation according to this embodiment. Also, Figs. 5A to 5D are explanatory diagrams showing examples of forward problem analysis and inverse problem analysis according to this embodiment.

[0048] The information processing system according to this embodiment supports the synthesis of polymers and the preparation of resin compositions, for example, as shown in FIG. 4. Polymer raw materials include, for example, monomers, polymerization initiators, polymerization inhibitors, and solvents used in polymerization. Polymer design conditions include the type and amount of raw materials, the treatment temperature (e.g., heat treatment), and treatment time. Polymer properties include viscosity, glass transition point, molecular weight, and acid value. Polymers are synthesized, for example, as shown in FIG. 4.

[0049] The resin composition is prepared by mixing a synthesized polymer with a polymerization initiator, a sensitizer, an adhesive, a plasticizer, and the like, as shown in FIG. 4 . The resin composition may be a liquid, gel, or paste-like resin. The resin composition may also be a resin processed product such as a film, a film laminate, a composite material of a film and a metal, or a molded product. The resin composition may also be used for metal wiring.

[0050] Examples of raw materials for the resin composition include polymers, oligomers, monomers, fillers, catalysts, polymerization initiators, polymerization inhibitors, crosslinking agents, curing agents, plasticizers, thickeners, and solvents. Furthermore, the raw materials for the resin composition may also include alkali-soluble polymers, ethylenically unsaturated bond-containing compounds, photopolymerization initiators, resins having repeating units containing acid-decomposable groups, phenolic resins, photoacid generators, dissolution inhibitors, sensitizers, and adhesion agents. Design conditions for the resin composition include the types and amounts of raw materials, treatment temperatures (e.g., heat treatments), treatment times, coating temperatures (e.g., for heat treatments), and coating speeds when applied to a film.

[0051] Furthermore, the properties of the resin composition include film thickness, photosensitivity, transparency, resolution, developability (minimum development time, development speed, development form, development residue), minimum resist line width, adhesion to the substrate, developer foamability, developer cohesiveness, edge fuse characteristics, cured film flexibility, tackiness with the base film, tackiness with the cover film, hue stability, color difference, peeling time, peeled piece size, tentability, dispersibility, solvent resistance (e.g., N-methyl-2-pyrrolidone (NMP) resistance), and heat resistance (e.g., yellowing color difference).

[0052] The properties of a resin composition can be controlled by adjusting the polymer properties such as the viscosity, glass transition point, molecular weight, and acid value of the polymer, as shown in Fig. 4. When predicting the properties of a resin composition using a mathematical model, in addition to the blending amount of the synthesized polymer and the types and blending amounts of the polymerization initiator, sensitizer, adhesive, plasticizer, etc. to be mixed, one or both of information on the design conditions of the polymer used when synthesizing the polymer from the monomer and information on predicted properties of the polymer may be used.

[0053] Furthermore, as shown in FIG. 4, for example, in the information processing system according to this embodiment, even if raw materials with the same name are used in the polymer synthesis stage and the resin composition production stage, it is possible to appropriately distinguish the chemical actions and roles of raw materials with the same name in the polymer synthesis stage and the resin composition production stage.

[0054] 3 includes a request receiving unit 20, a response transmitting unit 22, a design mode acquiring unit 24, a required property acquiring unit 26, a design condition acquiring unit 28, a control unit 30, a polymer design condition proposing unit 32, a resin composition design condition proposing unit 34, a polymer property predicting unit 36, a resin composition property predicting unit 38, and a memory unit 40. The user terminal 12 includes an information display unit 50, an operation accepting unit 52, a request transmitting unit 54, and a response receiving unit 56.

[0055] The information display unit 50 displays on the display device 502 a screen for accepting information input from a worker and information such as the results of processing executed by the design support device 10. The operation accepting unit 52 accepts operations by the worker, such as input of information. The request sending unit 54 sends a processing request corresponding to the information input from the worker to the design support device 10. In addition, the response receiving unit 56 receives a response to the processing request sent by the request sending unit 54 from the design support device 10.

[0056] The request receiving unit 20 receives a processing request from the user terminal 12. The response sending unit 22 responds with a processing result according to the processing request. The design mode acquisition unit 24 acquires information on a design mode (described below) selected by the worker on the user terminal 12. The required property acquisition unit 26 acquires required property information for the polymer and resin composition. The design condition acquisition unit 28 acquires design condition information for the polymer and resin composition. The design condition acquisition unit 28 also acquires range information for the design condition information for the polymer and resin composition.

[0057] The polymer design condition proposing unit 32 is an example of a first design condition proposing unit. As shown in Fig. 5C, the polymer design condition proposing unit 32 uses a mathematical model to propose candidates for polymer design condition information that satisfy the input required property information for the polymer.

[0058] The resin composition design condition proposal unit 34 is an example of a second design condition proposal unit. As shown in Fig. 5D, the resin composition design condition proposal unit 34 proposes candidates for design condition information of a resin composition that satisfies the input required characteristic information of the resin composition using a mathematical model.

[0059] The polymer property prediction unit 36 ​​is an example of a second property prediction unit. As shown in Fig. 5A, the polymer property prediction unit 36 ​​predicts polymer properties using a mathematical model based on input polymer design condition information, and outputs polymer property prediction information.

[0060] The resin composition property prediction unit 38 is an example of a first property prediction unit. As shown in FIG. 5B , the resin composition property prediction unit 38 predicts the properties of a resin composition using a mathematical model based on the input design condition information of the resin composition, and outputs property prediction information of the resin composition. The design condition information of the resin composition includes the design condition information of the polymer input to the polymer property prediction unit 36 ​​and the property prediction information of the polymer output from the polymer property prediction unit 36.

[0061] The control unit 30 supports the design of a polymer using the polymer design condition proposal unit 32 or the polymer property prediction unit 36, and supports the design of a resin composition using the resin composition design condition proposal unit 34 or the resin composition property prediction unit 38, based on information about the design mode selected by the operator. The memory unit 40 stores mathematical models used by the polymer design condition proposal unit 32, the resin composition design condition proposal unit 34, the polymer property prediction unit 36, and the resin composition property prediction unit 38. The memory unit 40 stores polymer design condition information input to the polymer property prediction unit 36 ​​and polymer property prediction information output from the polymer property prediction unit 36 ​​in association with each other. The memory unit 40 stores resin composition design condition information input to the resin composition property prediction unit 38 and resin composition property prediction information output from the resin composition property prediction unit 38 in association with each other. The memory unit 40 may also store required polymer property information input to the polymer design condition proposal unit 32 and candidates for polymer design condition information output from the polymer design condition proposal unit 32 in association with each other. The storage unit 40 may also store the required property information of the resin composition input to the resin composition design condition proposal unit 34 and candidates for design condition information of the resin composition output from the resin composition design condition proposal unit 34 in association with each other. The configuration diagram in Fig. 3 is an example. The configuration of the information processing system according to this embodiment can be realized by various configurations.

[0062] <Processing> The information processing system according to this embodiment changes the process of supporting the design of a polymer and a resin composition containing a polymer, based on the design mode selected by the operator on the user terminal 12, as shown in the flowchart of FIG. 6 .

[0063] 6 is a flowchart showing an example of a processing procedure of the information processing system according to this embodiment. Fig. 7 is an image diagram showing an example of a design mode selection screen. In step S10, the design mode acquisition unit 24 of the design support device 10 acquires information on the design mode selected by the operator on the user terminal 12.

[0064] For example, the operator selects a design mode from a design mode selection screen 1000 in Fig. 7 displayed on the user terminal 12. The design mode selection screen 1000 in Fig. 7 is an example in which the operator is prompted to select between "search for conditions" or "not search" for polymer design, and between "search for conditions" or "not search" for resin composition design.

[0065] The operator can select support for polymer design using inverse problem analysis by selecting "Perform condition search" for polymer design on the design mode selection screen 1000. The operator can select support for polymer design using forward problem analysis by selecting "Do not search" for polymer design on the design mode selection screen 1000.

[0066] The operator can select support by inverse problem analysis for resin composition design by selecting "Perform condition search" for resin composition design on the design mode selection screen 1000. The operator can select support by forward problem analysis for resin composition design by selecting "Do not search" for resin composition design on the design mode selection screen 1000.

[0067] In step S12, the control unit 30 of the design support device 10 determines whether or not the operator has selected "Perform condition search" for resin composition design based on the design mode information acquired in step S10. If the operator has not selected "Perform condition search" for resin composition design, the control unit 30 determines that the operator has selected "Do not search" for resin composition design, and proceeds to the processing of step S14.

[0068] In step S14, the control unit 30 of the design support device 10 determines whether or not the operator has selected "Perform condition search" for polymer design, based on the design mode information acquired in step S10. If the operator has not selected "Perform condition search" for polymer design, the control unit 30 determines that the operator has selected "Do not search" for polymer design, and proceeds to processing in step S18. On the other hand, if the operator has selected "Perform condition search" for polymer design, the control unit 30 proceeds to processing in step S20.

[0069] In step S18, the control unit 30 performs a polymer design support process using forward problem analysis and a resin composition design support process using forward problem analysis. In step S20, the control unit 30 performs a polymer design support process using inverse problem analysis and a resin composition design support process using forward problem analysis.

[0070] In step S12, the control unit 30 of the design support device 10 determines whether or not the operator has selected "Perform condition search" for resin composition design based on the design mode information acquired in step S10. If the operator has selected "Perform condition search" for resin composition design, the control unit 30 proceeds to the processing of step S16.

[0071] In step S16, the control unit 30 of the design support device 10 determines whether or not the operator has selected "Perform condition search" for polymer design, based on the design mode information acquired in step S10. If the operator has not selected "Perform condition search" for polymer design, the control unit 30 determines that the operator has selected "Do not search" for polymer design, and proceeds to processing in step S22. On the other hand, if the operator has selected "Perform condition search" for polymer design, the control unit 30 proceeds to processing in step S24.

[0072] In step S22, the control unit 30 performs a polymer design support process using forward problem analysis and a resin composition design support process using inverse problem analysis. In step S24, the control unit 30 performs a polymer design support process using inverse problem analysis and a resin composition design support process using inverse problem analysis.

[0073] 7 is an example, and the user may be prompted to select "search for conditions" or "not search" for either the polymer design or the resin composition design. Furthermore, if there is only one design mode available to the user, the process shown in FIG. 6 may be omitted.

[0074] <<Processing Example of Step S18>> Fig. 8 is a flowchart of an example of a polymer design support process using forward problem analysis and a resin composition design support process using forward problem analysis. Fig. 9A is a configuration diagram showing an example of polymer design condition information. Fig. 9B is a configuration diagram showing an example of polymer property prediction information. Fig. 10A is a configuration diagram showing an example of resin composition design condition information. Fig. 10B is a configuration diagram showing an example of resin composition property prediction information.

[0075] In step S100, the design condition acquisition unit 28 of the design support device 10 acquires polymer design condition information, such as that shown in Fig. 9A, input by the operator via the user terminal 12. The polymer design condition information includes information on the types and blending amounts of raw materials.

[0076] In step S102, the control unit 30 provides the polymer design condition information acquired by the design condition acquisition unit 28 in step S100 to the polymer property prediction unit 36, requesting a polymer property prediction. The polymer property prediction unit 36 ​​performs property prediction based on the provided polymer design condition information using a mathematical model. The polymer property prediction unit 36 ​​obtains polymer property prediction information, for example, as shown in FIG. 9B, by property prediction using the mathematical model.

[0077] In step S104, the control unit 30 controls the user terminal 12 to display, for example, the polymer property prediction information shown in Fig. 9B obtained in step S102. The information displayed on the user terminal 12 in step S104 may include, for example, the polymer design condition information shown in Fig. 9A entered by the operator in step S100.

[0078] In step S106, the design condition acquisition unit 28 of the design support device 10 acquires design condition information for the resin composition, such as that shown in Fig. 10A, entered by the operator at the user terminal 12. The design condition information for the resin composition shown in Fig. 10A includes, as a raw material, the polymer for which property prediction information was obtained in step S102. The design condition information for the resin composition includes, as information, the types and blending amounts of the raw materials.

[0079] In step S108, the control unit 30 provides the resin composition design condition information acquired by the design condition acquisition unit 28 in step S106 to the resin composition property prediction unit 38, requesting a property prediction of the resin composition. The resin composition property prediction unit 38 performs property prediction based on the provided design condition information of the resin composition using a mathematical model. The resin composition property prediction unit 38 obtains, for example, property prediction information of the resin composition as shown in FIG. 10B by property prediction using the mathematical model.

[0080] In step S110, the control unit 30 controls the user terminal 12 to display the resin composition property prediction information, for example, as shown in Fig. 10B, obtained in step S108. The information displayed on the user terminal 12 in step S110 may include the resin composition design condition information, for example, as shown in Fig. 10A, entered by the operator in step S106.

[0081] According to the process of FIG. 8, the properties of a polymer synthesized from a monomer can be evaluated, and then the properties of a resin composition obtained by mixing the synthesized polymer with a polymerization initiator, a sensitizer, an adhesive, a plasticizer, a solvent, and the like can be evaluated.

[0082] <<Processing Example of Step S20>> Fig. 11 is a flowchart of an example of a polymer design support process using inverse problem analysis and a resin composition design support process using forward problem analysis. Fig. 12 is a configuration diagram showing an example of required property information for a polymer and a resin composition. Fig. 13 is a configuration diagram showing an example of range information for polymer design condition information. Fig. 14 is a configuration diagram showing an example of design condition information for a resin composition. Figs. 15A and 15B are configuration diagrams showing an example of information on a proposed polymer. Fig. 16 is an example screen image displaying information on a proposed polymer.

[0083] In step S200, the required property acquisition unit 26 of the design support device 10 acquires required property information of the polymer and resin composition, such as that shown in Fig. 12 , input by the operator via the user terminal 12. The required property information of the polymer and resin composition in Fig. 12 is an example in which the required properties of the polymer and resin composition are expressed by lower limit values ​​and upper limit values.

[0084] In step S202, the design condition acquisition unit 28 acquires range information of the polymer design condition information, for example, as shown in Fig. 13 , input by the operator via the user terminal 12. The range information of the polymer design condition information in Fig. 13 includes information on the type of raw material and the upper and lower limits of the blending amounts of each raw material.

[0085] 13 is an example in which the operator can select raw materials that must be included in the polymer to be synthesized. A check mark is placed in the "Must Include" box for raw materials selected by the operator to be included in the polymer to be synthesized. FIG. 13 is an example in which the operator selects "Monomer A" and "Monomer B" as raw materials that must be included in the polymer to be synthesized.

[0086] In step S204, the design condition acquisition unit 28 acquires design condition information for the resin composition, such as that shown in Fig. 14, input by the operator via the user terminal 12. The design condition information for the resin composition shown in Fig. 14 includes a designed polymer as a raw material. The design condition information for the resin composition includes information on the type and blending amount of the raw material.

[0087] In step S206, the control unit 30 provides the range information of the polymer design condition information acquired in step S202 to the polymer design condition proposal unit 32, and requests the generation of exhaustive search points within the range information of the polymer design condition information. The polymer design condition proposal unit 32 generates a predetermined number (e.g., 1,000) of exhaustive search points within the range information of the provided polymer design condition information, randomly or at a predetermined interval.

[0088] For example, in the case of the range information of the polymer design condition information in Fig. 13, the exhaustive search points are combinations of the blending amounts of the raw materials "monomer A," "monomer B," "monomer C," "polymerization initiator A," "polymerization initiator C," and "polymerization initiator D." The blending amount of each raw material is selected from within the range indicated by the items "lower limit of blending amount" and "upper limit of blending amount."

[0089] In step S208, the polymer design condition proposal unit 32 uses a mathematical model to predict polymer properties based on the multiple comprehensive search points generated in step S206, and obtains property prediction information for multiple polymers based on the multiple comprehensive search points. The control unit 30 provides the property prediction information for the multiple polymers based on the multiple comprehensive search points and the design condition information for the resin composition acquired by the design condition acquisition unit 28 in step S204 to the resin composition property prediction unit 38, and requests it to predict the properties of the resin composition.

[0090] The resin composition property prediction unit 38 uses a mathematical model to perform property prediction based on property prediction information of a plurality of polymers based on the provided comprehensive search points and the design condition information of the resin composition acquired by the design condition acquisition unit 28 in step S204. The resin composition property prediction unit 38 obtains property prediction information of a plurality of resin compositions by property prediction using the mathematical model.

[0091] In step S210, the polymer design condition proposing unit 32 extracts exhaustive search points where the property prediction information of the polymer and resin composition obtained in step S208 satisfies the required property information of the polymer and resin composition, for example, as shown in Fig. 12. The processing of step S210 is processing to extract exhaustive search points that can satisfy the required property information of the polymer and resin composition, as shown in Fig. 12, from among the exhaustive search points generated randomly or at a predetermined interval within the range of the design conditions.

[0092] In step S212, the control unit 30 controls the user terminal 12 to display, for example, property prediction information and design condition information for a polymer to be synthesized based on the exhaustive search points extracted in step S210, as information on a proposed polymer, such as that shown in Figures 15A and 15B. For example, Figure 15A shows, as information on a proposed polymer, property prediction information for a polymer to be synthesized based on the exhaustive search points extracted in step S210. Also, for example, Figure 15B shows, as information on a proposed polymer, design requirement information for a polymer to be synthesized based on the exhaustive search points extracted in step S210. The information on the proposed polymer shown in Figures 15A and 15B is merely an example; for example, the property prediction information for the proposed polymer shown in Figure 15A and the design requirement information for the proposed polymer shown in Figure 15B may be displayed side by side in a single line.

[0093] The control unit 30 may perform control so that information about the proposed polymers to be synthesized based on the exhaustive search points extracted in step S210 is displayed on the user terminal 12 as, for example, a calculation result screen 1100 as shown in Fig. 16. The calculation result screen 1100 in Fig. 16 is an example in which information about the proposed polymers to be synthesized based on the exhaustive search points extracted in step S210 is displayed in a graph.

[0094] A field 1102 displays a slider for adjusting the required characteristics on the calculation result screen 1100. By using the slider in field 1102, the operator can plot the calculation results obtained by adjusting the required characteristics displayed in field 1102.

[0095] Column 1104 displays a graph of the molecular weights of multiple proposed polymers. Column 1106 displays predicted property information for multiple proposed polymers. Column 1106 in Fig. 16 displays, as properties of the proposed polymers, solvent resistance (e.g., NMP resistance) and heat resistance required when creating a resin composition using the polymers.

[0096] The process shown in FIG. 11 allows the user to search for and optimize polymer design conditions when synthesizing a polymer from a monomer, and then evaluate the properties of a resin composition obtained by mixing the synthesized polymer with a polymerization initiator, sensitizer, adhesive, plasticizer, etc. according to predetermined evaluation conditions.

[0097] <<Processing Example of Step S22>> Fig. 17 is a flowchart of an example of a polymer design support process using forward problem analysis and a resin composition design support process using inverse problem analysis. Fig. 18 is a configuration diagram showing an example of required property information of a resin composition. Fig. 19 is a configuration diagram showing an example of range information of design condition information of a resin composition. Figs. 20A and 20B are configuration diagrams showing an example of information on a proposed resin composition.

[0098] In step S300, the required property acquisition unit 26 of the design support device 10 acquires required property information of the resin composition, for example, as shown in Fig. 18 , which is input by the operator via the user terminal 12. The required property information of the resin composition in Fig. 18 is an example in which the required properties of the resin composition are expressed by a lower limit value and an upper limit value.

[0099] In step S302, the design condition acquisition unit 28 of the design support device 10 acquires the polymer design condition information input by the operator at the user terminal 12, for example, as shown in FIG. 9A.

[0100] In step S304, the control unit 30 provides the polymer design condition information acquired by the design condition acquisition unit 28 in step S302 to the polymer property prediction unit 36, requesting a polymer property prediction. The polymer property prediction unit 36 ​​performs property prediction based on the provided polymer design condition information using a mathematical model. The polymer property prediction unit 36 ​​obtains polymer property prediction information such as that shown in FIG. 9B by property prediction using the mathematical model.

[0101] In step S306, the control unit 30 controls the user terminal 12 to display, for example, the polymer property prediction information shown in Fig. 9B obtained in step S304. The information displayed on the user terminal 12 in step S306 may include, for example, the polymer design condition information shown in Fig. 9A entered by the operator in step S302.

[0102] In step S308, the design condition acquisition unit 28 acquires range information of the design condition information of the resin composition, for example, as shown in Fig. 19 , which has been input by the operator via the user terminal 12. The range information of the design condition information of the resin composition shown in Fig. 19 includes the designed polymer as a raw material. The range information of the design condition information of the resin composition in Fig. 19 includes, as information, the type of raw material and the lower and upper limits of the blending amounts of each raw material.

[0103] 19 is an example in which the operator can select raw materials that must be included in the resin composition to be created. A check mark is placed in the "must include" box for raw materials selected by the operator to be included in the resin composition to be created. FIG. 19 shows an example in which the operator has selected "Polymer 1," "Sensitizer A," and "Adhesion Agent A" as raw materials that must be included in the resin composition to be created.

[0104] In step S310, the control unit 30 provides the range information of the resin composition design condition information acquired in step S308 to the resin composition design condition proposal unit 34, and requests the generation of exhaustive search points within the range of the range information of the resin composition design condition information. The resin composition design condition proposal unit 34 generates a predetermined number (e.g., 1,000) of exhaustive search points within the range of the range information of the provided resin composition design condition information, randomly or at a predetermined interval.

[0105] For example, in the case of the range information of the design condition information of the resin composition in Fig. 19, the exhaustive search points are combinations of the blending amounts of the raw materials "Polymer 1," "Polymerization initiator B," "Polymerization initiator E," "Sensitizer A," "Adhesion agent A," and "Plasticizer A." The blending amount of each raw material is selected from within the range indicated by the items "Lower limit value of blending amount" and "Upper limit value of blending amount."

[0106] In step S312, the resin composition design condition proposal unit 34 uses a mathematical model to predict the properties of the resin composition based on the multiple comprehensive search points generated in step S310, and obtains property prediction information for multiple resin compositions based on the multiple comprehensive search points.

[0107] In step S314, the resin composition design condition proposing unit 34 extracts exhaustive search points where the resin composition property prediction information obtained in step S312 satisfies the required property information of the resin composition, for example, as shown in Fig. 18. The processing of step S314 is processing to extract exhaustive search points that can satisfy the required property information of the resin composition, as shown in Fig. 18, from among the exhaustive search points generated randomly or at a predetermined interval within the range of the design conditions.

[0108] In step S316, the control unit 30 controls the user terminal 12 to display the resin composition property prediction information and design condition information created based on the exhaustive search points extracted in step S314 as information on the proposed resin composition, such as that shown in Figures 20A and 20B. For example, Figure 20A shows, as information on the proposed resin composition, property prediction information for a resin composition synthesized based on the exhaustive search points extracted in step S314. Also, Figure 20B shows, as information on the proposed resin composition, design requirement information for a resin composition synthesized based on the exhaustive search points extracted in step S314. The information on the proposed resin composition shown in Figures 20A and 20B is merely an example; for example, the property prediction information for the proposed resin composition shown in Figure 20A and the design requirement information for the proposed resin composition shown in Figure 20B may be displayed side by side in a single line.

[0109] According to the process of FIG. 17 , it is possible to evaluate the properties of a polymer synthesized from a monomer under predetermined synthesis conditions, and then explore and optimize the design conditions for a resin composition in which a polymerization initiator, a sensitizer, an adhesive, a plasticizer, a solvent, etc. are mixed with the synthesized polymer.

[0110] <<Processing Example of Step S24>> Fig. 21 is a flowchart of an example of a polymer design support process using inverse problem analysis and a resin composition design support process using inverse problem analysis. Figs. 22A and 22B are block diagrams showing an example of information on a proposed polymer. Fig. 23 is a block diagram showing an example of range information on design condition information for a resin composition. Figs. 24A and 24B are block diagrams showing an example of information on a proposed resin composition.

[0111] In step S400, the required property acquisition unit 26 of the design support device 10 acquires required property information of the polymer and resin composition, such as that shown in Fig. 12 , input by the operator at the user terminal 12. In step S402, the design condition acquisition unit 28 acquires range information of the polymer design condition information, such as that shown in Fig. 13 , input by the operator at the user terminal 12.

[0112] In step S404, the control unit 30 provides the range information of the polymer design condition information acquired in step S402 to the polymer design condition proposal unit 32, and requests the generation of exhaustive search points within the range of the range information of the polymer design condition information. The polymer design condition proposal unit 32 generates a predetermined number (e.g., 1,000) of exhaustive search points within the range of the range information of the provided polymer design condition information, randomly or at a predetermined interval.

[0113] In step S406, the polymer design condition proposing unit 32 uses a mathematical model to predict polymer properties based on the multiple comprehensive search points generated in step S404, and obtains property prediction information for multiple polymers based on the multiple comprehensive search points.

[0114] In step S408, the polymer design condition proposing unit 32 extracts exhaustive search points where the polymer property prediction information obtained in step S406 satisfies the required property information of the polymer, for example, as shown in Fig. 12. The processing in step S408 is processing to extract exhaustive search points that can satisfy the required property information of the polymer from among exhaustive search points generated randomly or at a predetermined interval within the range of the polymer design conditions.

[0115] In step S410, the design condition acquisition unit 28 acquires range information of the design condition information of the resin composition, for example, as shown in Fig. 23 , which has been input by the operator via the user terminal 12. The range information of the design condition information of the resin composition shown in Fig. 23 includes the designed polymer (corresponding to the exhaustive search point extracted in step S408) as a raw material. The range information of the design condition information of the resin composition in Fig. 23 includes information on the type of raw material and the upper and lower limits of the blending amount of each raw material.

[0116] The range information of the resin composition design condition information in Figure 23 is an example in which the operator can select raw materials that must be included in the resin composition to be created. Raw materials selected by the operator to be included in the resin composition to be created are checked in the item "Must be included." Figure 23 is an example in which the operator has selected "designed polymer," "sensitizer A," and "adhesion agent A" as raw materials that must be included in the resin composition to be created.

[0117] In step S412, the control unit 30 provides the range information of the resin composition design condition information acquired in step S410 to the resin composition design condition proposal unit 34 and requests the generation of comprehensive search points within the range of the range information of the resin composition design condition information. The resin composition design condition proposal unit 34 generates a predetermined number (e.g., 1,000) of comprehensive search points for the resin composition randomly or at a predetermined interval within the range information of the provided resin composition design condition information.

[0118] For example, in the case of the range information of the design condition information of the resin composition in Fig. 23, the comprehensive search points of the resin composition are combinations of the blending amounts of the raw materials "designed polymer," "polymerization initiator B," "polymerization initiator E," "sensitizer A," "adhesion agent A," and "plasticizer A." The blending amount of each raw material is selected from within the range indicated by the items "lower limit value of blending amount" and "upper limit value of blending amount."

[0119] In step S414, the resin composition design condition proposal unit 34 uses a mathematical model to predict the properties of the resin composition based on the multiple comprehensive search points of the polymer extracted in step S408 and the multiple comprehensive search points of the resin composition generated in step S412. The resin composition design condition proposal unit 34 obtains property prediction information of multiple resin compositions based on the multiple comprehensive search points of the polymer and resin composition.

[0120] In step S416, the resin composition design condition proposal unit 34 extracts comprehensive search points for polymers and resin compositions whose resin composition property prediction information obtained in step S414 satisfies the required property information of the resin composition, for example, as shown in Figure 12.

[0121] In step S418, the control unit 30 controls the user terminal 12 to display, for example, property prediction information and design condition information for a polymer to be synthesized based on the exhaustive search points of the polymer extracted in step S416 as information on a proposed polymer, such as that shown in Figures 22A and 22B. For example, Figure 22A shows, as information on the proposed polymer, property prediction information for a polymer to be synthesized based on the exhaustive search points extracted in step S416. Also, Figure 22B shows, as information on the proposed polymer, design requirement information for a polymer to be synthesized based on the exhaustive search points extracted in step S416. Note that the information on the proposed polymer shown in Figures 22A and 22B is merely an example; for example, the property prediction information for the proposed polymer shown in Figure 22A and the design requirement information for the proposed polymer shown in Figure 22B may be displayed side by side in a single line.

[0122] Furthermore, in step S418, the control unit 30 controls the user terminal 12 to display the resin composition property prediction information and design condition information created based on the exhaustive search points extracted in step S416 as information on the proposed resin composition, such as that shown in Figures 24A and 24B. For example, Figure 24A shows, as information on the proposed resin composition, property prediction information for a resin composition synthesized based on the exhaustive search points extracted in step S416. Furthermore, Figure 24B shows, as information on the proposed resin composition, design requirement information for a resin composition synthesized based on the exhaustive search points extracted in step S416. The information on the proposed resin composition shown in Figures 24A and 24B is merely an example; for example, the property prediction information for the proposed resin composition shown in Figure 24A and the design requirement information for the proposed resin composition shown in Figure 24B may be displayed side by side in a single line.

[0123] According to the processing of Figure 21, by narrowing down in advance the comprehensive search points of polymers that satisfy the required properties of polymer design, there is no need to generate comprehensive search points or perform property predictions for resin compositions containing polymers that do not satisfy the required properties of polymer design, and the design conditions of resin compositions can be searched efficiently.

[0124] Fig. 25 is a flowchart of an example of a polymer design support process using inverse problem analysis and a resin composition design support process using inverse problem analysis. Fig. 26 is a configuration diagram showing an example of range information of polymer property prediction information. Figs. 27A and 27B are configuration diagrams showing an example of proposed polymer information. Fig. 28 is a configuration diagram showing an example of polymer required property information transferred from proposed polymer information.

[0125] In step S500, the required property acquisition unit 26 of the design support device 10 acquires required property information of the resin composition, such as that shown in Fig. 18 , input by the operator at the user terminal 12. In step S502, the design condition acquisition unit 28 acquires design condition information of the resin composition, such as that shown in Fig. 14 , input by the operator at the user terminal 12.

[0126] In step S504, the required property acquisition unit 26 acquires range information of the required property information of the polymer, such as that shown in Fig. 26 , input by the operator via the user terminal 12. In the range information of the required property information of the polymer in Fig. 26 , the required properties of the polymer are represented by a lower limit value and an upper limit value for each required property.

[0127] In step S506, the control unit 30 provides the range information of the polymer required property information acquired in step S504 to the polymer design condition proposal unit 32 and requests the generation of exhaustive search points within the range information of the range information of the polymer required property information. The polymer design condition proposal unit 32 generates a predetermined number (e.g., 1,000) of exhaustive search points within the range information of the provided range information of the polymer required property information, randomly or at a predetermined interval.

[0128] In step S508, the control unit 30 requests the resin composition design condition proposal unit 34 to predict the properties of the resin composition based on the comprehensive search points of the polymer generated in step S506. The resin composition design condition proposal unit 34 predicts the properties of the resin composition based on the comprehensive search points of the polymer generated in step S506 using a mathematical model, and obtains property prediction information for a plurality of resin compositions based on the plurality of comprehensive search points.

[0129] In step S510, the polymer design condition proposing unit 32 extracts, from the plurality of exhaustive search points generated in step S506, exhaustive search points at which the resin composition property prediction information obtained in step S508 satisfies, for example, the required property information of the resin composition as shown in Fig. 18. For example, the processing in step S510 is processing to extract exhaustive search points that can satisfy the required property information of the resin composition as shown in Fig. 18 from among the exhaustive search points generated randomly or at a predetermined interval within the range of the required properties of the polymer.

[0130] In step S512, the control unit 30 controls the user terminal 12 to display, for example, property prediction information and design requirement information of the polymer to be synthesized based on the exhaustive search points extracted in step S510 as information of the proposed polymer as shown in Figures 27A and 27B. For example, Figure 27A shows, as information of the proposed polymer, property prediction information of the polymer to be synthesized based on the exhaustive search points extracted in step S510. Also, for example, Figure 27B shows, as information of the proposed polymer, design requirement information of the polymer to be synthesized based on the exhaustive search points extracted in step S510. The information of the proposed polymer shown in Figures 27A and 27B is merely an example; for example, the property prediction information of the proposed polymer shown in Figure 27A and the design requirement information of the proposed polymer shown in Figure 27B may be displayed side by side in a single line.

[0131] In step S512, the control unit 30 controls the user terminal 12 to display the range information of the polymer design requirement information acquired from the proposed polymer design requirement information shown in Fig. 27B as information of the proposed polymer, for example, as shown in the upper part of Fig. 28. For example, the upper part of Fig. 28 shows the range information of the polymer design requirement information proposed to the worker as information of the proposed polymer. Note that the worker can transfer the information of the proposed polymer in the upper part as required property information of the polymer shown in the lower part, as shown in Fig. 28, and can also modify the numerical values ​​after transfer.

[0132] In step S514, the design condition acquisition unit 28 acquires the range information of the design condition information of the polymer shown in FIG. 13, for example, input by the operator at the user terminal 12.

[0133] In step S516, the control unit 30 provides the range information of the polymer design condition information acquired in step S514 to the polymer design condition proposal unit 32, and requests the generation of exhaustive search points within the range of the range information of the polymer design condition information. The polymer design condition proposal unit 32 generates a predetermined number (e.g., 1,000) of exhaustive search points within the range of the range information of the provided polymer design condition information, randomly or at a predetermined interval.

[0134] In step S518, the polymer design condition proposing unit 32 uses a mathematical model to predict polymer properties based on the multiple comprehensive search points generated in step S516, and obtains property prediction information for multiple polymers based on the multiple comprehensive search points.

[0135] In step S520, the polymer design condition proposing unit 32 extracts exhaustive search points where the polymer property prediction information obtained in step S518 satisfies the required property information of the polymer, for example, as shown in the lower part of Fig. 28. The processing in step S520 is processing to extract exhaustive search points that can satisfy the required property information of the polymer from among exhaustive search points generated randomly or at a predetermined interval within the range of the polymer design conditions.

[0136] In step S522, the control unit 30 controls the user terminal 12 to display, for example, property prediction information and design condition information for a polymer to be synthesized based on the exhaustive search points of the polymer extracted in step S520, as information on a proposed polymer, such as that shown in Figures 29A and 29B. For example, Figure 29A shows, as information on the proposed polymer, property prediction information for a polymer to be synthesized based on the exhaustive search points extracted in step S520. Also, Figure 29B shows, as information on the proposed polymer, design requirement information for a polymer to be synthesized based on the exhaustive search points extracted in step S520. Note that the information on the proposed polymer shown in Figures 29A and 29B is merely an example; for example, the property prediction information for the proposed polymer shown in Figure 29A and the design requirement information for the proposed polymer shown in Figure 29B may be displayed side by side in a single line.

[0137] According to the process of FIG. 25, it is possible to search for polymer properties that satisfy the required properties of a resin composition, and further to search for and optimize the design conditions for the polymer that satisfy the properties of that polymer.

[0138] When designing a resin composition, the properties of the resin composition may be controlled by adjusting the properties of the polymer, such as viscosity, glass transition point, molecular weight, acid value, etc. Therefore, it is necessary to search for the properties of a polymer that satisfy the required properties of the resin composition, and then search for and optimize the composition of monomers, polymerization initiators, etc. that satisfy the properties of the polymer, and a design support device 10 suitable for this is required.

[0139] In addition, workers who mix resin compositions may develop them while mentally linking the properties of the polymer with the properties of the resin composition. Therefore, it is very convenient to have polymer properties that satisfy the required properties of the resin composition proposed. In addition, workers who synthesize polymers may develop them while mentally imagining the properties of the target polymer and selecting the monomers to be used. Therefore, it is very convenient to have polymer properties that satisfy the required properties of the resin composition proposed.

[0140] <<Registration and Use of Design Condition Information and Property Prediction Information>> Fig. 30 is a flowchart of an example of the process of registering and using design condition information and property prediction information. Fig. 31A is a configuration diagram showing an example of design condition information for a polymer. Fig. 31B is a configuration diagram showing an example of property prediction information for a polymer. Figs. 32A and 32B are configuration diagrams showing an example of the process of registering and using design condition information and property prediction information for a polymer. Fig. 33 is a configuration diagram showing an example of property prediction information for a resin composition.

[0141] In step S600, the design condition acquisition unit 28 of the design support device 10 acquires polymer design condition information, such as that shown in Fig. 31A, input by the operator via the user terminal 12. The polymer design condition information includes the types and blending amounts of raw materials.

[0142] In step S602, the control unit 30 provides the polymer design condition information acquired by the design condition acquisition unit 28 in step S600 to the polymer property prediction unit 36, requesting a polymer property prediction. The polymer property prediction unit 36 ​​performs property prediction based on the provided polymer design condition information using a mathematical model. The polymer property prediction unit 36 ​​obtains polymer property prediction information through property prediction using the mathematical model.

[0143] In step S604, the control unit 30 controls the user terminal 12 to display the polymer property prediction information obtained in step S602. The control unit 30 causes the user terminal 12 to display, for example, the design condition information and property prediction information of the polymer shown in FIG. 31B so that the operator can select the polymer to register. In the example of FIG. 31B , the design condition information and property prediction information of the polymer for which the item "Register" is checked are linked to each other and registered in the design support device 10.

[0144] In step S606, the control unit 30 can select a polymer to be used in creating the resin composition from registered polymer information, for example, as shown in Fig. 32A. For example, the operator can select a polymer to be used as design condition information for the resin composition from registered polymer information by using the radio button in the item "Register" in Fig. 32A, for example, as shown in Fig. 32B.

[0145] In step S608, the design condition acquisition unit 28 of the design support device 10 acquires, for example, design condition information of the resin composition as shown in Fig. 32B , which is input by the operator via the user terminal 12. The design condition information of the resin composition shown in Fig. 32B includes, as a raw material, the registered polymer selected in step S606.

[0146] In step S610, the control unit 30 provides the resin composition design condition information acquired by the design condition acquisition unit 28 in step S608 to the resin composition property prediction unit 38, requesting a property prediction of the resin composition. The resin composition property prediction unit 38 uses a mathematical model to predict properties based on the provided design condition information of the resin composition. The resin composition property prediction unit 38 obtains, for example, property prediction information of the resin composition shown in FIG. 33 by property prediction using the mathematical model. In step S612, the control unit 30 controls the user terminal 12 to display, for example, property prediction information of the resin composition as shown in FIG. 33.

[0147] According to the process in Fig. 30, the design condition information and predicted property information of a polymer whose design has been completed can be registered and can be selected and used when designing a resin composition. For example, in the development of a resin composition, a polymer whose design has been completed is frequently used multiple times, and the properties of the resin composition are evaluated by changing the types and amounts of polymerization initiators, sensitizers, adhesives, plasticizers, etc.

[0148] Therefore, it is very convenient to be able to register the design condition information and predicted property information of a polymer for which design has been completed, and then select and use it when designing a resin composition.

[0149] Here, an example of registering and using polymer design condition information and property prediction information in a combination of polymer design using inverse problem analysis and resin composition property prediction using forward problem analysis has been shown, but the same can be done with a combination of polymer design using forward problem analysis and resin composition design using inverse problem analysis, a combination of polymer design using forward problem analysis and resin composition property prediction using forward problem analysis, or a combination of polymer design using inverse problem analysis and resin composition design using inverse problem analysis.

[0150] Other Embodiments The polymer designed by the design support device 10 according to this embodiment and the resin composition containing the polymer may be produced in a manufacturing device that produces a compound such as a polymer or a resin composition containing the polymer by supplying design condition information for the compound such as a polymer or a resin composition containing the polymer to the manufacturing device.

[0151] As described above, the information processing system according to this embodiment can provide a design support device, a design support method, and a program suitable for designing a first compound such as a polymer, and for designing a second compound such as a resin composition containing the first compound such as a polymer.

[0152] Although the present embodiment has been described above, it will be understood that various changes in form and details can be made without departing from the spirit and scope of the claims.

[0153] Although the present invention has been described above based on the embodiments, the present invention is not limited to the above embodiments and various modifications are possible within the scope of the claims. This application claims priority from basic application No. 2021-206288 filed with the Japan Patent Office on December 20, 2021, the entire contents of which are incorporated herein by reference.

[0154] REFERENCE SIGNS LIST 10 Design support device 12 User terminal 18 Communication network 24 Design mode acquisition unit 26 Required property acquisition unit 28 Design condition acquisition unit 30 Control unit 32 Polymer design condition proposal unit 34 Resin composition design condition proposal unit 36 ​​Polymer property prediction unit 38 Resin composition property prediction unit 40 Storage unit 502 Display device

Claims

1. A design support device that supports the design of a first compound and the design of a second compound containing the first compound, comprising: a first design condition proposing unit configured to propose candidates for design condition information of the first compound that satisfy the input required property information of the first compound; a first characteristic prediction unit configured to predict characteristics of the second compound based on input design condition information of the second compound; A design support device comprising:

2. a second design condition proposing unit configured to propose candidates for design condition information of the second compound that satisfy the input required property information of the second compound; a second characteristic prediction unit configured to predict characteristics of the first compound based on input design condition information of the first compound; a control unit configured to support the design of the first compound using the first design condition proposal unit or the second property prediction unit, and to support the design of the second compound using the second design condition proposal unit or the first property prediction unit; The design support system according to claim 1 , further comprising:

3. A design support device that supports the design of a first compound and the design of a second compound containing the first compound, comprising: a second characteristic prediction unit configured to predict characteristics of the first compound based on input design condition information of the first compound; a second design condition proposing unit configured to propose candidates for design condition information of the second compound that satisfy the input required property information of the second compound; A design support device comprising:

4. a first design condition proposing unit configured to propose candidates for design condition information of the first compound that satisfy the input required property information of the first compound; a first characteristic prediction unit configured to predict characteristics of the second compound based on input design condition information of the second compound; a control unit configured to support the design of the first compound using the first design condition proposal unit or the second property prediction unit, and to support the design of the second compound using the second design condition proposal unit or the first property prediction unit; The design support system according to claim 3, further comprising:

5. The control unit is configured to use the second property prediction unit to predict the properties of the first compound based on design condition information of the first compound, and to use the first property prediction unit to predict the properties of the second compound based on design condition information of the second compound containing the first compound for which the property prediction has been performed.

5. The design support device according to claim 2 or 4.

6. The control unit is configured to use the first design condition proposal unit to propose candidates for design condition information of the first compound that satisfy required property information of the first compound, and to use the first property prediction unit to predict properties of the second compound based on design condition information of the second compound containing the first compound that is one of the candidates for design condition information.

5. The design support device according to claim 2 or 4.

7. The control unit is configured to use the second property prediction unit to predict properties of the first compound based on design condition information of the first compound, and to use the second design condition proposal unit to propose candidates for design condition information of the second compound that satisfy required property information of the second compound containing the first compound for which the property prediction has been performed.

5. The design support device according to claim 2 or 4.

8. The control unit is configured to use the first design condition proposal unit to propose candidates for design condition information of the first compound that satisfy required property information of the first compound, and to use the second design condition proposal unit to propose candidates for design condition information of the second compound that satisfies required property information of the second compound containing the first compound that is one of the candidates for design condition information.

5. The design support device according to claim 2 or 4.

9. The second design condition proposing unit is configured to propose candidates for properties of the first compound that satisfy required property information of the second compound. The design support device according to claim 8.

10. a storage unit configured to store a result of the characteristic prediction of the first compound performed by the second characteristic prediction unit based on design condition information of the first compound; and The first property prediction unit is configured to use the design condition information of the first compound and the result of the property prediction of the first compound, which are read from the storage unit, for inputting design condition information of the second compound and predicting the property of the second compound.

5. The design support device according to claim 2 or 4.

11. The first design condition proposal unit and the second design condition proposal unit are configured to receive the required property information and range information of the design condition information as input, and to propose candidates for the design condition information of the first compound or the second compound that satisfy the required property information of the first compound or the second compound within the range of the input range information.

5. The design support device according to claim 2 or 4.

12. The first design condition proposal unit and the second design condition proposal unit are configured to generate exhaustive search points within the range of the input range information, and propose candidates for the design condition information of the first compound or the second compound that satisfy required property information of the first compound or the second compound based on a result of property prediction of the first compound or the second compound performed using the exhaustive search points. The design support device according to claim 11.

13. the first compound is a polymer polymerized from a monomer, The second compound is a resin composition containing the polymer.

4. The design support device according to claim 1 or 3.

14. A design support method in which a computer supports the design of a first compound and the design of a second compound containing the first compound, the method comprising: a design condition proposing step of proposing candidates for design condition information of the first compound that satisfy the input required property information of the first compound; a characteristic prediction step of predicting characteristics of the second compound based on the input design condition information of the second compound; A design support method including:

15. A computer that assists in the design of a first compound and the design of a second compound containing said first compound, a design condition proposing step of proposing candidates for design condition information of the first compound that satisfy the input required property information of the first compound; a characteristic prediction step of predicting characteristics of the second compound based on the input design condition information of the second compound; A program to execute.