Intelligent experimental device for organic chemistry

Abstract

The invention provides an organic chemistry intelligent experiment device, which comprises an intelligent experiment platform and an intelligent control system, and is characterized in that the intelligent control system is used for automatically recommending experiment information such as material type, ratio, dosage, reaction temperature, stirring speed and intermediate reaction sampling interval duration according to received experiment task information; and controlling the intelligent experiment platform to complete the experiment, automatically optimizing and recommending the experiment data of the next batch of experiment according to the analysis and evaluation of the experiment result, and repeating the steps until a satisfactory optimization target is achieved. According to the organic chemistry intelligent experiment device provided by the invention, an existing intelligent experiment platform is fused with an artificial intelligence technology, and the experiment situation can be predicted, planned, guided, sensed and optimized in real time.

Description

Technical Field

[0001] The invention relates to the technical field of organic chemistry experiments, and in particular to an organic chemistry intelligent experiment device. Background Art

[0002] Automatic / intelligent experimental equipment for organic chemistry usually uses program-controlled balances, solvent pumps, heating, stirring, centrifugation and other devices, combined with tools such as guide rails, robotic arms and end effectors, to automatically complete experimental processes such as solid / liquid packaging, weighing, reaction, and separation, which can significantly improve operational efficiency, accuracy and repeatability, and reduce human errors and accidental errors.

[0003] Most of the existing fully automated / "intelligent" experimental devices manually input reaction conditions, duration and other information based on known reaction conditions, and the experiment stops automatically when the timer ends. Its "intelligence" remains at the stage of simple riveting between machine learning technology and automated experimental devices, and has not yet realized the real-time prediction, planning, guidance, perception and optimization of experimental situations by artificial intelligence technology. Summary of the invention

[0004] The present invention aims to solve at least one of the technical problems existing in the prior art. To this end, the present invention provides an intelligent organic chemistry intelligent experimental device, which aims to solve the problem that the automated / intelligent experimental device in the technology cannot use artificial intelligence technology to predict, plan, guide, perceive and optimize the experimental situation in real time.

[0005] The present invention provides an organic chemistry intelligent experimental device, comprising an intelligent experimental platform and an intelligent control system, wherein the intelligent control system comprises an instruction receiving module, a database module, an experimental information management module, a scheduling module, a spectrum automatic analysis module and an evaluation module, wherein:

[0006] The instruction receiving module is used to receive experimental task information;

[0007] The database module stores experimental history data, and is used to establish an interpretability model based on the experimental task information and the experimental history data, and automatically recommend experimental information based on the interpretability model, wherein the experimental information at least includes material type, ratio, dosage, reaction temperature, stirring speed, and intermediate reaction sampling interval;

[0008] The experimental information management module is used to receive the experimental information recommended by the database module and the evaluation module, and based on the time of receiving the experimental information, determine the latest experimental information as the target experimental information, the experimental information management module is used to collect the reaction spectrum output by the intelligent experimental platform and the analysis and processing data of the spectrum by the spectrum automatic analysis module, and the experimental information management module judges the progress of the experiment based on the analysis and processing data to terminate the reaction process in time, or terminates the experiment when the preset optimization target is reached;

[0009] The scheduling module controls the intelligent experiment platform to prepare ingredients, react and draw a reaction map based on the target experiment information;

[0010] The automatic spectrum analysis module is used to analyze the reaction spectrum and output the analysis and processing data;

[0011] The evaluation module is used to automatically evaluate and recommend the next batch of experimental information based on the target experimental information and the analysis and processing data of the automatic spectrum analysis module using a black box optimization algorithm.

[0012] According to the organic chemistry intelligent experimental device provided by the present invention, the intelligent experimental platform comprises:

[0013] A sample stage, the sample stage is used to place the reaction container and the reagent container;

[0014] A container temporary storage device, wherein the container temporary storage device is provided with a first clamping component, and the first clamping component is used to clamp or release the reaction container or the reagent container;

[0015] A second reaction container placement device, the second reaction container placement device is used to place the reaction container after the cover is opened;

[0016] At least one stirring and heating device, each of which is provided with a plurality of third reaction container placement devices, and each of which is provided with a second clamping assembly;

[0017] A container transfer device, wherein the moving end of the container transfer device is used to move between the sample stage, the container temporary storage device, the second reaction container placement device and the third reaction container placement device, and the moving end of the container transfer device is provided with a rotating device and a third clamping assembly, the third clamping assembly is used to clamp or release the reaction container or the reagent container, and the rotating device is used to drive the third clamping assembly to rotate;

[0018] A liquid transfer device, the liquid transfer device is used to move between the container temporary storage device and the second reaction container placement device, and is used to transfer the reagent in the reagent container to the reaction container;

[0019] A reaction dynamics monitoring device, the reaction dynamics monitoring device comprising an in-situ infrared spectrometer and / or a gas chromatograph, the reaction dynamics monitoring device drawing a reaction spectrum according to the detected experimental parameters;

[0020] The container transfer device, the stirring and heating device, the container temporary storage device and the liquid transfer device are all electrically connected to the scheduling module, and the reaction dynamic monitoring device is communicatively connected to the spectrum automatic analysis module.

[0021] According to the organic chemistry intelligent experimental device provided by the present invention, the container transfer device comprises:

[0022] A first transfer device, wherein the first transfer device comprises a first mechanical arm, a moving end of the first mechanical arm is provided with a first connecting end and a second connecting end, the first connecting end is connected to the third clamping assembly via the rotating device, the liquid transfer device is provided at the second connecting end, the first mechanical arm is used to drive the third clamping assembly to move between the sample stage, the container temporary storage device and the second reaction container placement device, and the first mechanical arm is used to drive the liquid transfer device to move between the container temporary storage device and the second reaction container placement device;

[0023] The second transfer device includes a second robotic arm, the moving end of the second robotic arm is connected to the third clamping assembly through the rotating device, and the second robotic arm is used to drive the third clamping assembly to move between the container temporary storage device and the stirring and heating device.

[0024] According to the organic chemistry intelligent experimental device provided by the present invention, the first clamping assembly, the second clamping assembly and the third clamping assembly all include:

[0025] at least two clamping jaws, a plurality of said clamping jaws being arranged around the same axis;

[0026] A driving device is in driving connection with the clamping jaw, and is used to drive the clamping jaw to move along a straight line that is perpendicular to the axis and intersects the axis.

[0027] According to the organic chemistry intelligent experimental device provided by the present invention, an anti-slip structure is provided on one side of the clamping jaw close to the axis.

[0028] The organic chemistry intelligent experiment device provided by the present invention further includes a weighing device, which is communicatively connected with the experiment information management module, and the second reaction container placement device is arranged on the weighing device.

[0029] According to the organic chemistry intelligent experimental device provided by the present invention, a buffer device is provided at the inner bottom of the second reaction container placement device.

[0030] According to the organic chemistry intelligent experimental device provided by the present invention, the stirring and heating device includes a magnetic stirrer.

[0031] According to the organic chemistry intelligent experimental device provided by the present invention, the reaction dynamic monitoring device also includes a mobile device, and the detection end of the in-situ infrared spectrometer and / or the gas chromatograph is arranged on the mobile end of the mobile device, and the mobile device is used to drive the detection end of the in-situ infrared spectrometer and / or the gas chromatograph to enter and exit the reaction container located in the third reaction container placement device.

[0032] The present invention adopts the above technical solution, which has the following advantages:

[0033] The organic chemistry intelligent experimental device provided by the present invention comprises an intelligent experimental platform and an intelligent control system, wherein the intelligent control system comprises an instruction receiving module, a database module, an experimental information management module, a scheduling module, a spectrum automatic analysis module and an evaluation module. During the experiment, the experimental task information is first received through the instruction receiving module. The database module stores experimental historical data, and the database module establishes an interpretable model based on the experimental task information and the experimental historical data, and automatically recommends experimental information based on the interpretable model, and the experimental information at least includes material type, ratio, dosage, reaction temperature, stirring speed, and intermediate reaction sampling interval. The experimental information management module receives the experimental information of the database module and determines it as the target experimental information. The scheduling module controls the intelligent experimental platform to mix ingredients and react based on the target experimental information, and outputs the reaction spectrum. The spectrum automatic analysis module analyzes the reaction spectrum and outputs the analysis and processing data. The evaluation module automatically evaluates and recommends the next batch of experimental information based on the target experimental information and the analysis and processing data of the spectrum automatic analysis module using a black box optimization algorithm. During the experiment, the experimental information management module continuously collects the analysis and processing data output by the automatic spectrum analysis software, and judges the experimental progress in real time based on the analysis and processing data to stop the reaction process in time, and terminates the experiment in time when the experimental parameters reach the optimization target. After the first experiment is completed, the experimental information management module receives the experimental information recommended by the evaluation module, and based on the time of receiving the experimental information, determines the latest experimental information as the target experimental information, and conducts the experiment again. The experimental information management module continuously compares the analysis and processing data of the automatic spectrum analysis module, and terminates the experiment when the analysis and processing data reaches the preset requirements. The organic chemistry intelligent experimental device provided by the present invention integrates the existing intelligent experimental platform with artificial intelligence technology, and can predict, plan, guide, perceive and optimize the experimental situation in real time. BRIEF DESCRIPTION OF THE DRAWINGS

[0034] In order to more clearly illustrate the technical solutions in the present invention or the prior art, the drawings required for use in the embodiments or the description of the prior art will be briefly introduced below. Obviously, the drawings described below are some embodiments of the present invention. For ordinary technicians in this field, other drawings can be obtained based on these drawings without paying creative work.

[0035] Figure 1 It is a structural schematic diagram of an organic chemistry intelligent experimental device provided by one embodiment of the present invention;

[0036] Figure 2 It is a three-dimensional reaction map provided by one embodiment of the present invention.

[0037] Reference numerals:

[0038] 100, sample table; 110, first reaction container placement device; 120, first reagent container placement device; 130, gun tip storage device; 200, container temporary storage device; 300, weighing device; 310, second reaction container placement device; 400, stirring and heating device; 410, third reaction container placement device; 500, pipetting device; 610, first robotic arm; 620, second robotic arm; 630, rotating device; 640, third clamping assembly; 711, X-axis moving mechanism; 712, Y-axis moving mechanism; 713, Z-axis moving mechanism; 720, mounting frame. DETAILED DESCRIPTION

[0039] In order to make the purpose, technical solution and advantages of the present invention clearer, the technical solution of the present invention will be clearly and completely described below in conjunction with the drawings of the present invention. Obviously, the described embodiments are part of the embodiments of the present invention, not all of the embodiments. Based on the embodiments of the present invention, all other embodiments obtained by ordinary technicians in this field without creative work are within the scope of protection of the present invention.

[0040] In the description of the present invention, it is to be understood that the terms “center”, “longitudinal”, “lateral”, “length”, “width”, “thickness”, “up”, “down”, “front”, “back”, “left”, “right”, “vertical”, “horizontal”, “top”, “bottom”, “inside”, “outside”, “clockwise”, “counterclockwise”, “axial”, “radial”, “circumferential”, etc., indicating orientations or positional relationships based on the orientations or positional relationships shown in the accompanying drawings, are only for the convenience of describing the present invention and simplifying the description, and do not indicate or imply that the referred device or element must have a specific orientation, be constructed and operated in a specific orientation, and therefore should not be understood as limiting the present invention.

[0041] In addition, the terms "first" and "second" are used for descriptive purposes only and should not be understood as indicating or implying relative importance or implicitly indicating the number of the indicated technical features. Therefore, the features defined as "first" and "second" may explicitly or implicitly include one or more of the features. In the description of the present invention, the meaning of "plurality" is more than two, unless otherwise clearly and specifically defined.

[0042] In the present invention, unless otherwise clearly specified and limited, the terms "installed", "connected", "connected", "fixed" and the like should be understood in a broad sense, for example, it can be a fixed connection, a detachable connection, or an integral connection; it can be a mechanical connection or an electrical connection; it can be a direct connection or an indirect connection through an intermediate medium, it can be the internal connection of two elements or the interaction relationship between two elements. For ordinary technicians in this field, the specific meanings of the above terms in the present invention can be understood according to specific circumstances.

[0043] In the present invention, unless otherwise clearly specified and limited, a first feature being "above" or "below" a second feature may mean that the first and second features are in direct contact, or the first and second features are in indirect contact through an intermediate medium. Moreover, a first feature being "above", "above" or "above" a second feature may mean that the first feature is directly above or obliquely above the second feature, or simply means that the first feature is higher in level than the second feature. A first feature being "below", "below" or "below" a second feature may mean that the first feature is directly below or obliquely below the second feature, or simply means that the first feature is lower in level than the second feature.

[0044] In the description of this specification, the description with reference to the terms "one embodiment", "some embodiments", "example", "specific example", or "some examples" etc. means that the specific features, structures, materials or characteristics described in conjunction with the embodiment or example are included in at least one embodiment or example of the present invention. In this specification, the schematic representations of the above terms do not necessarily refer to the same embodiment or example. Moreover, the specific features, structures, materials or characteristics described may be combined in any one or more embodiments or examples in a suitable manner. In addition, those skilled in the art may combine and combine the different embodiments or examples described in this specification and the features of the different embodiments or examples, without contradiction.

[0045] The organic chemistry intelligent experimental device provided by the present invention comprises an intelligent experimental platform and an intelligent control system, wherein the intelligent control system comprises an instruction receiving module, a database module, an experimental information management module, a scheduling module, a spectrum automatic analysis module and an evaluation module. During the experiment, the experimental task information is first received through the instruction receiving module. The database module stores experimental historical data, and the database module establishes an interpretable model based on the experimental task information and the experimental historical data, and automatically recommends experimental information based on the interpretable model, and the experimental information at least includes material type, ratio, dosage, reaction temperature, stirring speed, and intermediate reaction sampling interval. The experimental information management module receives the experimental information of the database module and determines it as the target experimental information. The scheduling module controls the intelligent experimental platform to mix ingredients and react based on the target experimental information, and outputs the reaction spectrum. The spectrum automatic analysis module analyzes the reaction spectrum and outputs the analysis and processing data. The evaluation module automatically evaluates and recommends the next batch of experimental information based on the target experimental information and the analysis and processing data of the spectrum automatic analysis module using a black box optimization algorithm. During the experiment, the experimental information management module continuously collects the analysis and processing data output by the automatic spectrum analysis software, and judges the experimental progress in real time based on the analysis and processing data to stop the reaction process in time, and terminates the experiment in time when the experimental parameters reach the optimization target. After the first experiment is completed, the experimental information management module receives the experimental information recommended by the evaluation module, and based on the time of receiving the experimental information, determines the latest experimental information as the target experimental information, and conducts the experiment again. The experimental information management module continuously compares the analysis and processing data of the automatic spectrum analysis module, and terminates the experiment when the analysis and processing data reaches the preset requirements. The organic chemistry intelligent experimental device provided by the present invention integrates the existing intelligent experimental platform with artificial intelligence technology, and can predict, plan, guide, perceive and optimize the experimental situation in real time.

[0046] Combine the following Figure 1 and Figure 2 The organic chemistry intelligent experimental device of the present invention is described.

[0047] The organic chemistry intelligent experimental device provided by the embodiment of the present invention includes an intelligent experimental platform and an intelligent control system. The intelligent control system includes an instruction receiving module, a database module, an experimental information management module, a scheduling module, an automatic spectrum analysis module and an evaluation module.

[0048] The instruction receiving module is used to receive experimental task information.

[0049] The database module stores experimental historical data. The database module is used to establish an interpretable model based on experimental task information and experimental historical data, and automatically recommend experimental information based on the interpretable model. The experimental information at least includes material type, ratio, dosage, reaction temperature, stirring speed and intermediate reaction sampling interval.

[0050] The experimental information management module is used to receive the experimental information recommended by the database module and the evaluation module, and based on the time of receiving the experimental information, determines the latest experimental information as the target experimental information. The experimental information management module is used to collect the reaction spectra output by the intelligent experimental platform and the analysis and processing data of the spectra by the automatic spectrum analysis module. The experimental information management module judges the progress of the experiment based on the analysis and processing data to terminate the reaction process in time, or terminates the experiment when the preset optimization goal is reached.

[0051] The scheduling module controls the intelligent experimental platform to prepare ingredients, react and draw reaction maps based on the target experimental information.

[0052] The automatic spectrum analysis module is used to analyze the reaction spectrum and output the analysis and processing data.

[0053] The evaluation module is used to automatically evaluate and recommend the next batch of experimental information based on the target experimental information and the analysis and processing data of the automatic spectrum analysis module using a black box optimization algorithm.

[0054] Before the experiment begins, the task information of the experiment is first input through the instruction receiving module, for example, the maximum yield of a product under a certain reaction. After receiving the experimental task information, the instruction receiving module sends the experimental task information to the database module. The database module stores experimental history data, which includes data generated by literature, patents and platform experiments. The database establishes an interpretable model based on the received experimental task information and experimental history data. The interpretable model is generated based on data training and testing, and can complete the rational design of specific chemical problems. The database model automatically recommends experimental information based on the interpretable model. The experimental information includes at least the material type, ratio, dosage, reaction temperature, stirring speed, and intermediate reaction sampling interval of the corresponding experimental project.

[0055] The experimental information management module is used to receive the experimental information recommended by the database module and determine the experimental information as the target experimental information. The scheduling module controls the intelligent experimental platform to prepare ingredients, react and draw reaction maps based on the target experimental information of the experimental information management module.

[0056] The automatic spectrum analysis module is used to analyze the reaction spectrum drawn by the intelligent experimental platform and output the analysis and processing data.

[0057] The experimental information management module collects, analyzes and processes data in real time, and judges the progress of the experiment in real time based on the analyzed and processed data, and terminates the reaction process at an appropriate time.

[0058] The evaluation module automatically evaluates and recommends the next batch of experimental information based on the target experimental information and the analysis and processing data of the automatic spectrum analysis module using a black box optimization algorithm.

[0059] The experimental information management module is also used to receive the experimental information recommended by the evaluation module, and based on the time of receiving the experimental information, determine the latest experimental information as the above-mentioned target experimental information.

[0060] When the experiment information management module receives and determines the new target experiment information again, the above experiment is executed again.

[0061] After each experiment is executed, the experimental information management module records the analysis and processing data of the experiment and compares the analysis and processing data with the preset value. When the error between the target value in the analysis and processing data and the preset value is within an acceptable range, the experimental information management module terminates the cyclic experiment.

[0062] The organic chemistry intelligent experimental device provided by the present invention integrates the existing intelligent experimental platform with artificial intelligence technology, and can perform real-time prediction, planning, guidance, perception and optimization of the experimental situation.

[0063] In some embodiments, the intelligent experimental platform includes a sample table 100, a container temporary storage device 200, a second reaction container placement device 310, at least one stirring and heating device 400, a container transfer device, a liquid transfer device 500 and a reaction dynamic monitoring device. The reaction dynamic monitoring device includes an in-situ infrared spectrometer and / or a gas chromatograph for detecting and drawing a reaction spectrum. Among them, the container temporary storage device 200, the stirring and heating device 400, the container transfer device and the liquid transfer device 500 are all electrically connected to the scheduling module, and the reaction dynamic monitoring device is communicatively connected to the spectrum automatic analysis module.

[0064] During operation, the scheduling module controls the intelligent experimental platform to add corresponding reagents into the reaction container based on the types and amounts of required reagents in the target experimental information of the experimental information management module, and controls the intelligent experimental platform to adjust reaction parameters according to reaction conditions.

[0065] Specifically, the container transfer device first transfers the reaction container on the sample stage 100 to the container temporary storage device 200, and the container transfer device and the container temporary storage device 200 cooperate to remove the cover of the reaction container, and then transfer the reaction container with the cover removed to the second reaction container placement device 310. Then, the container transfer device transfers the reagent container containing the required reagent on the sample stage 100 to the container temporary storage device 200, and removes the cover of the reagent container with the cooperation of the container transfer device and the container temporary storage device 200, and the liquid transfer device 500 transfers the reagent in the reagent container with the cover opened to the reaction container located on the second reaction container placement device 310. When all the required reagents are added to the reaction container, the container transfer device transfers the reaction container to the container temporary storage device 200, and screws back the cover of the reaction container with the cooperation of the container transfer device and the container temporary storage device 200. Then, the container transfer device transfers the reaction container to the stirring and heating device 400 for reaction.

[0066] The scheduling module adjusts the heating temperature of the stirring and heating device according to the corresponding reaction conditions in the target experiment information, or manually controls the heating temperature of the stirring and heating device.

[0067] During the reaction process, the container transfer device cooperates with the stirring and heating device to continuously open and close the reaction container cover. After the reaction container cover is opened, the reaction container monitoring device detects the substance in the reaction container and outputs a reaction spectrum.

[0068] Furthermore, a first reaction container placement device 110 and a first reagent container placement device 120 are provided on the sample table 100. The first reaction container placement device 110 and the first reagent container placement device 120 are both provided with a plurality of first container placement slots, and the reaction containers and reagent containers are placed in the corresponding first container placement slots.

[0069] The container temporary storage device 200 is provided with a second container placement slot, and a first clamping assembly is provided in the second container placement slot. When a reaction container or a reagent container is placed in the second container placement slot, the first clamping assembly can clamp or release the reaction container or the reagent container.

[0070] The second reaction container placement device 310 is used to temporarily place the reaction container. At this position, the operation of adding reagents into the reaction container is completed.

[0071] The stirring and heating device 400 is used for regulating the temperature of the solution in the reaction vessel. The stirring and heating device 400 is provided with multiple, and each stirring and heating device 400 is provided with multiple third reaction vessel placement devices 410, so that multiple reaction vessels can be heated at the same time to improve work efficiency. Multiple stirring and heating devices 400 can regulate temperature respectively, and data when the same experiment reacts at different temperatures can be obtained, and multiple types of experiments with different heating temperatures can also be performed. Since it is necessary to continuously monitor the reaction process during the reaction, it is necessary to frequently perform the action of opening and closing the lid of the reaction vessel, therefore, a second clamping assembly is also provided on each third reaction vessel placement device 410, and when it is necessary to perform the action of opening or closing the lid, the second clamping assembly clamps the reaction vessel to prevent the reaction vessel from rotating, and when it is necessary to transfer the reaction vessel, the second clamping assembly releases the reaction vessel.

[0072] The container transfer device is used to transfer the reaction container and the reagent container, and to open and close the lids of the reaction container and the reagent container. The moving end of the container transfer device is used to move between the sample stage 100, the container temporary storage device 200, the second reaction container placement device 310 and the stirring and heating device 400 to complete the transfer of the reaction container or the reagent container.

[0073] The moving end of the container transfer device is provided with a rotating device 630 and a third clamping assembly 640, and the rotating device 630 is located between the moving end and the third clamping assembly 640. When the container transfer device transfers the container, the third clamping assembly 640 is used to grab the container. When the container is transferred to the right position, the third clamping assembly 640 releases the container and puts down the corresponding container. When the container transfer device performs the cover opening or closing action, the third clamping assembly 640 clamps the cover of the corresponding container, and at this time, the rotating device 630 drives the third clamping assembly 640 to rotate, thereby driving the cover to rotate to open or close.

[0074] The liquid transfer device 500 is mainly used to transfer the reagent in the reagent container on the container temporary storage device 200 to the reaction container on the second reaction container placement device 310. Therefore, the moving end of the liquid transfer device 500 is used to move between the container temporary storage device 200 and the second reaction container placement device 310. The liquid transfer device 500 can be a suction device that can suck the reagent in the reagent container and spray the reagent into the reaction container.

[0075] A gun tip storage device 130 is also provided on the sample table 100 , and a plurality of gun tip storage slots are provided in the gun tip storage device 130 . Before transferring the reagent, the moving end of the pipetting device 500 needs to move above the gun tip to be used and engage with the gun tip.

[0076] See also Figure 2In some embodiments of the present invention, the reaction dynamic monitoring device can output a three-dimensional reaction spectrum, and the spectrum automatic analysis module can further analyze the three-dimensional reaction spectrum and automatically extract the data in the spectrum to calculate the data required for the experiment, such as the yield of the target product. The analyzed data is automatically associated with the experimental information module.

[0077] In some embodiments of the present invention, in order to improve work efficiency, two container transfer devices may be provided, namely a first transfer device and a second transfer device.

[0078] Specifically, the first transfer device may include a first mechanical arm 610, the moving end of the first mechanical arm 610 is provided with a first connection end and a second connection end, the first connection end is connected to the third clamping assembly 640 through a rotating device 630, and the liquid transfer device 500 is provided at the second connection end. The first mechanical arm 610 has a plurality of motion joints, which can drive the first connection end and the second connection end of the first mechanical arm 610 to achieve multi-degree-of-freedom movement, so that the first mechanical arm 610 can drive the third clamping assembly 640 to move between the sample stage 100, the container temporary storage device 200 and the second reaction container placement device 310, and the first mechanical arm 610 can drive the liquid transfer device 500 to move between the container temporary storage device 200 and the second reaction container placement device 310.

[0079] The first robot arm 610 can drive the rotating device 630 and the third clamping assembly 640 to transfer the reaction container from the sample stage 100 to the container temporary storage device 200. At this time, the rotating device 630, the third clamping assembly 640 and the container temporary storage device 200 cooperate to perform the action of opening the cover of the reaction container, and then the first robot arm 610 transfers the reaction container to the second reaction container placement device 310. After all the reagents are added to the reaction container, the reaction container is transferred back to the container temporary storage device 200, and the action of closing the cover of the reaction container is performed.

[0080] The first robot arm 610 can drive the rotating device 630 and the third clamping assembly 640 to transfer the reagent container from the sample table 100 to the container temporary storage device 200, and cooperate with the container temporary storage device 200 to perform the action of opening the reagent container. When the reagent in the reagent container is transferred, the action of closing the reagent container is performed. Finally, the first robot arm 610 transfers the reagent container back to the sample table 100.

[0081] The first robot arm 610 can drive the pipetting device 500 to absorb the reagent from the opened reagent container on the container temporary storage device 200, and then the first robot arm 610 drives the pipetting device 500 to move to the opened reaction container on the second reaction container placement device 310, and spray the absorbed reagent into the reaction container.

[0082] The second transfer device may include a second mechanical arm 620, the mobile end of the second mechanical arm 620 is connected to the third clamping assembly 640 via a rotating device 630, and the second mechanical arm 620 has multiple motion joints, which can drive the mobile end of the second mechanical arm 620 to achieve multi-degree-of-freedom motion. In this way, the second mechanical arm 620 can drive the third clamping assembly 640 to move between the second reaction container placement device 310 and the stirring and heating device 400.

[0083] The second mechanical arm 620 can drive the rotating device 630 and the third clamping assembly 640 to move between the container temporary storage device 200 and the stirring and heating device 400. Above the container temporary storage device 200, the third clamping assembly 640 clamps the reaction container. The second mechanical arm 620 drives the third clamping assembly 640 to drive the reaction container to move into the third reaction container placement device 410 of the stirring and heating device 400, and then the third clamping assembly 640 releases the reaction container. When the third clamping assembly 640 on the second mechanical arm 620 clamps the cover of the reaction container and the third clamping assembly on the stirring and heating device 400 clamps the reaction container, the rotating device 630 rotates to realize the action of opening and closing the cover.

[0084] In some embodiments of the present invention, the first clamping assembly, the second clamping assembly, the third clamping assembly and the third clamping assembly 640 all include a clamping jaw and a driving device.

[0085] The clamps include at least two, multiple clamps are arranged around the same axis, each clamp is connected to a driving device, the driving device drives the clamp to move in a direction perpendicular to the distribution axis of the clamp and passing through the distribution axis, so as to achieve the action of multiple clamps approaching each other to clamp the container and moving away from each other to release the container.

[0086] In order to enhance the friction between the clamping jaws, the cover body and the container, an anti-slip structure is provided on the side of the clamping jaws close to the container or the cover body, such as a rubber pad.

[0087] In addition, the outer diameters of the lids or container bodies of different containers are different. In order to enable the clamping jaws to clamp containers of different sizes, the clamping surface inside the clamping jaws may be stepped to accommodate containers of different outer diameters.

[0088] In some embodiments of the present invention, a weighing device 300 is further included, and a second reaction container placement device 310 is disposed on the weighing device 300, and the weighing device 300 is connected to the experimental information management module for transmitting weighing information to the experimental information management module. A buffer device is disposed at the inner bottom of the second reaction container placement device 310.

[0089] When the first transfer device drives the reaction container to move above the second reaction container placement device 310 and the bottom of the reaction container enters the second reaction container placement device 310, the third clamping assembly 640 on the first transfer device releases the reaction container, and the buffer device located at the bottom of the second reaction container placement device 310 can provide a buffering effect for the reaction container to prevent the reaction container from making hard contact with the bottom of the second reaction container placement device 310, causing the reaction container to break.

[0090] For example, the buffer device may be a spring or other elastic material.

[0091] In some embodiments of the present invention, the stirring and heating device 400 may be an electromagnetic stirrer. During the reaction process, the electromagnetic stirrer mixes the solution in the reaction container and heats the solution in the reaction container.

[0092] In some embodiments of the present invention, the reaction dynamic monitoring device also includes a mobile device, and the detection end of the in-situ infrared spectrometer and / or gas chromatograph is arranged on the mobile end of the mobile device. The mobile device is used to drive the detection end of the in-situ infrared spectrometer and / or gas chromatograph to extend into the reaction container on the third reaction tool storage device, so as to detect the substance in the reaction container to generate a three-dimensional reaction spectrum.

[0093] The moving device may be a third mechanical arm or a gantry-type three-way moving mechanism. This embodiment is described by taking the gantry-type three-way moving mechanism as an example.

[0094] The moving device includes an X-moving mechanism 711, a Y-moving mechanism 712, a Z-moving mechanism 713 and a mounting frame 720. Two X-moving mechanisms 711 are provided, and the two X-moving mechanisms 711 are respectively provided on two opposite sides of the stirring and heating device 400. Two Z-moving mechanisms 713 are also provided, and the fixed parts of the two Z-moving mechanisms 713 are respectively connected to the moving parts of the two X-moving mechanisms 711, and the two ends of the fixed part of the Y-moving mechanism 712 are respectively connected to the moving parts of the two Z-moving mechanisms 713. The mounting frame 720 is connected to the moving part of the Y-moving mechanism 712. The in-situ infrared spectrometer and / or gas chromatograph are both provided on the mounting frame 720.

[0095] The X-axis moving mechanism 711 , the Y-axis moving mechanism 712 and the Z-axis moving mechanism 713 are all screw-nut mechanisms driven by motors.

[0096] Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of the present application, rather than to limit them; although the present application has been described in detail with reference to the aforementioned embodiments, those skilled in the art should understand that they can still modify the technical solutions described in the aforementioned embodiments, or replace some or all of the technical features therein by equivalents; and these modifications or replacements do not make the essence of the corresponding technical solutions deviate from the scope of the technical solutions of the embodiments of the present application, and they should all be included in the scope of the claims and specification of the present application. In particular, as long as there is no structural conflict, the various technical features mentioned in the various embodiments can be combined in any way. The present application is not limited to the specific embodiments disclosed herein, but includes all technical solutions that fall within the scope of the claims.

Claims

1. An organic chemistry intelligent experimental device, characterized in that: It includes an intelligent experimental platform and an intelligent control system, wherein the intelligent control system includes an instruction receiving module, a database module, an experimental information management module, a scheduling module, an automatic spectrum analysis module and an evaluation module, wherein: The instruction receiving module is used to receive experimental task information; The database module stores experimental history data, and is used to establish an interpretability model based on the experimental task information and the experimental history data, and automatically recommend experimental information based on the interpretability model, wherein the experimental information at least includes material type, ratio, dosage, reaction temperature, stirring speed, and intermediate reaction sampling interval; The experimental information management module is used to receive the experimental information recommended by the database module and the evaluation module, and based on the time of receiving the experimental information, determine the latest experimental information as the target experimental information, the experimental information management module is used to collect the reaction spectrum output by the intelligent experimental platform and the analysis and processing data of the spectrum by the spectrum automatic analysis module, and the experimental information management module judges the progress of the experiment based on the analysis and processing data to terminate the reaction process in time, or terminates the experiment when the preset optimization target is reached; The scheduling module controls the intelligent experiment platform to prepare ingredients, react and draw a reaction map based on the target experiment information; The automatic spectrum analysis module is used to analyze the reaction spectrum and output the analysis and processing data; The evaluation module is used to automatically evaluate and recommend the next batch of experimental information based on the target experimental information and the analysis and processing data of the automatic spectrum analysis module using a black box optimization algorithm.

2. The organic chemistry intelligent experimental device according to claim 1, characterized in that: The intelligent experimental platform comprises: A sample table (100), the sample table (100) being used to place the reaction container and the reagent container; A container temporary storage device (200), wherein the container temporary storage device (200) is provided with a first clamping component, and the first clamping component is used to clamp or release the reaction container or the reagent container; A second reaction container placement device (310), the second reaction container placement device (310) is used to place the reaction container after opening the cover; At least one stirring and heating device (400), each of the stirring and heating devices (400) being provided with a plurality of third reaction container placement devices (410), and the third reaction container placement devices (410) being provided with a second clamping assembly; A container transfer device, wherein the moving end of the container transfer device is used to move between the sample stage (100), the container temporary storage device (200), the second reaction container placement device (310) and the third reaction container placement device (410), and the moving end of the container transfer device is provided with a rotating device (630) and a third clamping assembly (640), the third clamping assembly (640) is used to clamp or release the reaction container or the reagent container, and the rotating device (630) is used to drive the third clamping assembly (640) to rotate; A liquid transfer device (500), the liquid transfer device (500) is used to move between the container temporary storage device (200) and the second reaction container placement device (310), and is used to transfer the reagent in the reagent container to the reaction container; A reaction dynamics monitoring device, the reaction dynamics monitoring device comprising an in-situ infrared spectrometer and / or a gas chromatograph, the reaction dynamics monitoring device drawing a reaction spectrum according to the detected experimental parameters; The container transfer device, the stirring and heating device, the container temporary storage device and the liquid transfer device are all electrically connected to the scheduling module, and the reaction dynamic monitoring device is communicatively connected to the spectrum automatic analysis module.

3. The organic chemistry intelligent experimental device according to claim 2, characterized in that: The container transfer device comprises: A first transfer device, the first transfer device comprises a first mechanical arm (610), a movable end of the first mechanical arm (610) is provided with a first connecting end and a second connecting end, the first connecting end is connected to the third clamping assembly (640) via the rotating device (630), the liquid transfer device (500) is provided at the second connecting end, the first mechanical arm (610) is used to drive the third clamping assembly (640) to move between the sample stage (100), the container temporary storage device (200) and the second reaction container placement device (310), and the first mechanical arm (610) is used to drive the liquid transfer device (500) to move between the container temporary storage device (200) and the second reaction container placement device (310); A second transfer device, wherein the second transfer device comprises a second robotic arm (620), wherein a movable end of the second robotic arm (620) is connected to the third clamping assembly (640) via the rotating device (630), and the second robotic arm (620) is used to drive the third clamping assembly (640) to move between the container temporary storage device (200) and the stirring and heating device (400).

4. The organic chemistry intelligent experimental device according to claim 3, characterized in that: The first clamping assembly, the second clamping assembly and the third clamping assembly each include: at least two clamping jaws, a plurality of said clamping jaws being arranged around the same axis; A driving device is connected to the clamping jaw in a transmission manner and is used to drive the clamping jaw to move along a straight line that is perpendicular to the axis and intersects the axis.

5. The organic chemistry intelligent experimental device according to claim 4, characterized in that: A side of the clamping jaw close to the axis is provided with an anti-slip structure.

6. The organic chemistry intelligent experimental device according to claim 2, characterized in that: It also includes a weighing device (300), the weighing device (300) is communicatively connected with the experimental information management module, and the second reaction container placement device (310) is arranged on the weighing device (300).

7. The organic chemistry intelligent experimental device according to claim 6, characterized in that: A buffer device is provided at the inner bottom of the second reaction container placement device (310).

8. The organic chemistry intelligent experimental device according to claim 2, characterized in that: The stirring and heating device (400) comprises a magnetic stirrer.

9. The organic chemistry intelligent experimental device according to claim 2, characterized in that: The reaction dynamic monitoring device also includes a moving device, and the detection end of the in-situ infrared spectrometer and / or the gas chromatograph is arranged on the moving end of the moving device, and the moving device is used to drive the detection end of the in-situ infrared spectrometer and / or the gas chromatograph to enter and exit the reaction container located in the third reaction container placement device (410).

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