Classifications

• • G—PHYSICS
  • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
  • G16H—HEALTHCARE INFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR THE HANDLING OR PROCESSING OF MEDICAL OR HEALTHCARE DATA
  • G16H50/00—ICT specially adapted for medical diagnosis, medical simulation or medical data mining; ICT specially adapted for detecting, monitoring or modelling epidemics or pandemics
  • G16H50/20—ICT specially adapted for medical diagnosis, medical simulation or medical data mining; ICT specially adapted for detecting, monitoring or modelling epidemics or pandemics for computer-aided diagnosis, e.g. based on medical expert systems
• • G—PHYSICS
  • G06—COMPUTING OR CALCULATING; COUNTING
  • G06F—ELECTRIC DIGITAL DATA PROCESSING
  • G06F16/00—Information retrieval; Database structures therefor; File system structures therefor
  • G06F16/90—Details of database functions independent of the retrieved data types
  • G06F16/903—Querying
  • G06F16/9038—Presentation of query results
• • G—PHYSICS
  • G06—COMPUTING OR CALCULATING; COUNTING
  • G06T—IMAGE DATA PROCESSING OR GENERATION, IN GENERAL
  • G06T11/00—Two-dimensional [2D] image generation
  • G06T11/20—Drawing from basic elements
  • G06T11/23—Drawing from basic elements using straight lines or curves
• • G—PHYSICS
  • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
  • G16C—COMPUTATIONAL CHEMISTRY; CHEMOINFORMATICS; COMPUTATIONAL MATERIALS SCIENCE
  • G16C20/00—Chemoinformatics, i.e. ICT specially adapted for the handling of physicochemical or structural data of chemical particles, elements, compounds or mixtures
  • G16C20/30—Prediction of properties of chemical compounds, compositions or mixtures
• • G—PHYSICS
  • G16—INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR SPECIFIC APPLICATION FIELDS
  • G16H—HEALTHCARE INFORMATICS, i.e. INFORMATION AND COMMUNICATION TECHNOLOGY [ICT] SPECIALLY ADAPTED FOR THE HANDLING OR PROCESSING OF MEDICAL OR HEALTHCARE DATA
  • G16H10/00—ICT specially adapted for the handling or processing of patient-related medical or healthcare data
  • G16H10/40—ICT specially adapted for the handling or processing of patient-related medical or healthcare data for data related to laboratory analysis, e.g. patient specimen analysis
• • G—PHYSICS
  • G06—COMPUTING OR CALCULATING; COUNTING
  • G06T—IMAGE DATA PROCESSING OR GENERATION, IN GENERAL
  • G06T2210/00—Indexing scheme for image generation or computer graphics
  • G06T2210/41—Medical

Definitions

• the technology disclosed herein relates to an information processing device, an information processing method, and a program.
• Toxicity assessments of chemical substances require not only the evaluation of the test substance being tested, but also the toxicity of metabolic products in order to evaluate toxicity to living organisms.
• International Publication WO2021/145434 describes a method for predicting the indications of a target drug or its equivalent, which includes inputting estimated adverse event-related information estimated from a group of data showing the behavior of biomarkers in one or more organs collected from a non-human animal to which the target drug or its equivalent has been administered as a test substance into a predictive artificial intelligence model as test data, and predicting the indications of the target drug or its equivalent.
• International Publication WO2011/055820 describes an assistance device that includes a measurement data acquisition means for acquiring multiple measurement data obtained under different conditions for each of multiple types of metabolites and/or metabolic enzymes, a pathway map data acquisition means for acquiring data representing a metabolic pathway map within a living organism, an association strength calculation means for calculating the strength of association between the metabolites and/or metabolic enzymes and each metabolic pathway based on the measurement data acquired by the measurement data acquisition means, a display means, and a display content determination means for determining the content to be displayed on the display means.
• the display content determination means is capable of displaying content representing two or more metabolic pathways on the display means so that the strength of the association is identifiable, and further includes a pathway selection input receiving means for receiving a selection input of one of the metabolic pathways from a user when content representing two or more metabolic pathways is displayed on the display means, and the display content determination means determines the display content to be displayed on the display means so that the increase or decrease in the measured value indicated by the measurement value data for the metabolites and/or metabolic enzymes present on the metabolic pathway map is identifiable.
• JP 2004-93234 A describes a toxicity determination system that includes simultaneous differential equations based on gene pathway information related to the metabolism or sequence of a toxic drug, a storage means for storing reaction rate coefficients of the simultaneous differential equations, the relationship between linear stability and Jacobian stability according to the reaction rate coefficients, and a determination of the toxicity of the toxic drug based on the value of the reaction rate coefficient, an input means for inputting gene expression distribution data into the simultaneous differential equations, and a display means for inputting the gene expression distribution data into the simultaneous differential equations to find the reaction rate coefficients and display a determination of the toxicity of the toxic drug.
• One embodiment of the technology disclosed herein provides an information processing device, information processing method, and program that can efficiently grasp the predicted results of metabolic reactions and the evaluation results of the toxicity of compounds involved in metabolic reactions, and assist users in evaluating the toxicity of compounds.
• the first aspect of the technology disclosed herein is an information processing device that includes a processor, and the processor generates a display image showing a predicted result of a metabolic reaction in the body of a test substance and a metabolite generated in the metabolic reaction, and an evaluation result of the toxicity of at least one compound from a group of compounds consisting of the test substance and the metabolite, and executes control to generate a display image that identifiably shows the evaluation result of the compound in a metabolic reaction process that systematically shows the metabolic reactions and metabolites that occur in a chain starting from the test substance, and outputs the generated display image, and the metabolites systematically shown in the display image include a lost compound that disappears in the metabolic reaction process.
• the second aspect of the technology disclosed herein is the information processing device of the first aspect, in which the evaluation results of the lost compound are displayed in a manner that makes them distinguishable from other metabolic products in the display image.
• a third aspect of the technology disclosed herein is an information processing device according to the first aspect, in which the metabolic reaction process shown in the display image is a tree diagram represented by compound data representing each compound of the test substance and the metabolic product, and connecting lines connecting the compound data before and after the metabolic reaction.
• a fourth aspect of the technology disclosed herein is an information processing device according to the third aspect, in which the names of metabolic reactions are displayed in association with the connecting lines.
• a fifth aspect of the technology disclosed herein is an information processing device according to the third aspect, which, when a bond line is selected, displays a partial structure contained in the compound before the reaction, which is a chemical structure that caused a metabolic reaction.
• a sixth aspect of the technology disclosed herein is an information processing device according to the first aspect, in which, when partial metabolic reaction processes starting from different metabolic products are common to each other in a metabolic reaction process, the partial metabolic reaction processes are displayed together as one.
• the seventh aspect of the technology disclosed herein is an information processing device according to the first aspect, which displays a judgment flow that is used for toxicity evaluation when a compound that is the subject of toxicity evaluation and has an evaluation result is selected within the metabolic reaction process of the displayed image, has at least one judgment step, and shows a toxicity evaluation procedure in which paths branch depending on the judgment result of the judgment step, and among multiple paths, a path that leads to the evaluation result of the compound is displayed in a manner that is distinguishable from other paths.
• An eighth aspect of the technology disclosed herein is an information processing device according to the first aspect in which the display range of the metabolic reaction process in the display image is adjustable.
• a ninth aspect of the technology disclosed herein is an information processing method that displays a display image showing predicted results of a metabolic reaction of a test substance in the body and metabolites generated by the metabolic reaction, and an evaluation result of the toxicity of at least one compound from a group of compounds consisting of the test substance and metabolites, the method including generating a display image that identifiably shows the evaluation result of the compound in a metabolic reaction process that systematically shows metabolic reactions and metabolites that occur in a chain starting from the test substance, and executing control to output the generated display image, and the metabolic products systematically shown in the display image include lost compounds that disappear in the metabolic reaction process.
• a tenth aspect of the technology disclosed herein is a program that causes a computer to execute a process that includes generating a display image showing a predicted result of a metabolic reaction in the body of a test substance and a metabolic product generated by the metabolic reaction, and an evaluation result of the toxicity of at least one compound from a group of compounds consisting of the test substance and metabolic products, the display image showing a identifiable evaluation result of the compound in a metabolic reaction process that systematically shows metabolic reactions and metabolic products that occur in a chain starting from the test substance, and executing control to output the generated display image, where the metabolic products systematically shown in the display image include a lost compound that disappears in the metabolic reaction process.
• the technology disclosed herein provides an information processing device, information processing method, and program that can efficiently grasp the results of metabolic reaction predictions and evaluations of the toxicity of compounds involved in metabolic reactions, and assist users in evaluating the toxicity of compounds.
• FIG. 1 is a conceptual diagram illustrating an example of a schematic configuration of an information processing system.
• 2 is a block diagram showing an example of a hardware configuration of an electrical system of the server;
• FIG. 1 is a conceptual diagram showing an example of a usage mode of an information processing system.
• FIG. 2 is a functional block diagram showing an example of main functions of a processor of the server.
• FIG. 2 is a conceptual diagram showing an example of processing contents of a toxicity evaluation unit.
• FIG. 2 is a functional block diagram showing an example of main functions of a processor of the server.
• FIG. 2 is a conceptual diagram showing an example of a manner in which a display image is displayed on a display device.
• 10 is a flowchart showing an example of the flow of a server control process.
• FIG. 10 is a flowchart showing an example of the flow of a server control process.
• FIG. 2 is a functional block diagram showing an example of main functions of a processor of the server.
• FIG. 2 is a conceptual diagram showing an example of a manner in which a display image is displayed on a display device.
• FIG. 2 is a functional block diagram showing an example of main functions of a processor of the server.
• FIG. 2 is a conceptual diagram showing an example of a manner in which a display image is displayed on a display device.
• FIG. 2 is a functional block diagram showing an example of main functions of a processor of the server.
• FIG. 2 is a conceptual diagram showing an example of a manner in which a display image is displayed on a display device.
• FIG. 2 is a functional block diagram showing an example of main functions of a processor of the server.
• FIG. 2 is a conceptual diagram showing an example of a manner in which a display image is displayed on a display device.
• FIG. 2 is a conceptual diagram showing an example of a manner in which a display image is displayed on a display device.
• 2 is a block diagram showing an example of a hardware configuration of an electrical system of a client terminal;
• 2 is a functional block diagram showing an example of main functions of a processor of the client terminal;
• FIG. 2 is a functional block diagram showing an example of main functions of a processor of the client terminal;
• an information processing system 10 includes a client terminal 12 and a server 14.
• the client terminal 12 and the server 14 are connected to each other via a network 16 so as to be able to communicate with each other.
• the information processing system 10 is used, for example, to predict reactions involving chemical substances (e.g., metabolic reactions in the body) and/or evaluate the properties of chemical substances (e.g., evaluate the presence or absence of toxicity to the human body).
• a user 18 e.g., a researcher
• can predict and evaluate experimental results using computer simulations i.e., evaluation using in silico techniques.
• computer simulations i.e., evaluation using in silico techniques.
• the client terminal 12 is a terminal used by a user 18.
• the server 14 receives processing requests from the client terminal 12 via the network 16, and provides a service according to the request via the network 16 to the requesting client terminal 12. For example, when the server 14 receives a processing request to execute a process related to reaction prediction and characteristic evaluation of a chemical substance, the server 14 transmits the prediction results and evaluation results to the client terminal 12.
• the server 14 is an example of an "information processing device" related to the technology disclosed herein.
• the server 14 is realized by a mainframe, but this is merely one example, and the server may be realized by cloud computing, or by network computing such as fog computing, edge computing, or grid computing.
• the server 14 is given as an example of a device provided outside the client terminal 12, but this is merely one example, and the server 14 may be replaced by at least one personal computer, etc.
• the network 16 is configured, for example, as at least one of a WAN (Wide Area Network) and a LAN (Local Area Network). Furthermore, the connection method between the client terminal 12 and the network 16, and the connection method between the server 14 and the network 16 may each be a wireless communication method or a wired communication method. The network 16 establishes communication between the client terminal 12 and the server 14, and transmits and receives various information between the client terminal 12 and the server 14.
• WAN Wide Area Network
• LAN Local Area Network
• the reception device 20 is connected to the client terminal 12.
• the reception device 20 receives instructions from the user 18.
• the reception device 20 has a keyboard 21, a mouse 22, and the like.
• the keyboard 21 and the mouse 22 shown in FIG. 1 are merely examples.
• the reception device 20 may have only either the keyboard 21 or the mouse 22.
• the reception device 20 may be at least one of a proximity input device that receives proximity input, a voice input device that receives voice input, and a gesture input device that receives gesture input.
• the proximity input device is, for example, a touch panel or a tablet.
• a display device 24 is connected to the client terminal 12. Examples of the display device 24 include an EL (Electro-Luminescence) display or a liquid crystal display. The display device 24 displays various information (e.g., images and text) under the control of the client terminal 12.
• EL Electro-Luminescence
• the information processing system 10 may include multiple client terminals 12 and multiple servers 14.
• the server 14 includes a computer 26, a communication I/F (Interface) 28, and a bus 36.
• the computer 26 includes a processor 30, storage 32, and RAM (Random Access Memory) 34.
• the processor 30, storage 32, RAM 34, and communication I/F 28 are connected to the bus 36.
• the computer 26 is an example of a "computer” according to the technology disclosed herein, and the processor 30 is an example of a "processor” according to the technology disclosed herein.
• the Memory is connected to the processor 30.
• the memory includes storage 32 and RAM 34.
• the processor 30 has, for example, a CPU (Central Processing Unit) and a GPU (Graphics Processing Unit).
• the GPU operates under the control of the CPU and is responsible for executing image-related processing.
• Storage 32 is a non-volatile storage device that stores various programs and various parameters.
• Examples of storage 32 include flash memory (e.g., EEPROM (Electrically Erasable and Programmable Read Only Memory) and SSD (Solid State Drive)) and/or HDD (Hard Disk Drive). Note that flash memory and HDD are merely examples, and at least one of flash memory, HDD, magnetoresistive memory, and ferroelectric memory may be used as storage 32.
• RAM 34 is a memory in which information is temporarily stored, and is used as a work memory by processor 30.
• Examples of RAM 34 include DRAM (Dynamic Random Access Memory) and SRAM (Static Random Access Memory).
• the communication I/F 28 is connected to the network 16.
• the communication I/F 28 is responsible for sending and receiving information to and from an external communication device (e.g., the client terminal 12) via the network 16.
• the communication I/F 28 transmits information in response to a request from the processor 30 to the external communication device via the network 16.
• the communication I/F 28 also receives information transmitted from the external communication device, and outputs the received information to the processor 30 via the bus 36.
• Storage 32 stores prediction processing program 32A.
• Prediction processing program 32A is a program that provides a prediction simulation regarding the metabolism of chemical substances.
• Processor 30 reads prediction processing program 32A from storage 32 and executes the read prediction processing program 32A on RAM 34 to perform metabolic prediction processing.
• the metabolic prediction processing is realized by processor 30 operating as first acquisition unit 30A and metabolic prediction unit 30B.
• the storage 32 stores an evaluation processing program 32B.
• the evaluation processing program 32B is a program that provides an evaluation simulation of the toxicity of chemical substances.
• the processor 30 reads the evaluation processing program 32B from the storage 32, and executes the read evaluation processing program 32B on the RAM 34 to perform toxicity evaluation processing.
• the toxicity evaluation processing is realized by the processor 30 operating as a second acquisition unit 30C and a toxicity evaluation unit 30D.
• the storage 32 also stores a generation processing program 32C.
• the generation processing program 32C is a program that generates a display image (see FIG. 6) to be output to the client terminal 12.
• the processor 30 reads the generation processing program 32C from the storage 32, and executes the read generation processing program 32C on the RAM 34 to perform image generation processing.
• the image generation processing is realized by the processor 30 operating as a third acquisition unit 30E, an image generation unit 30F, and an output unit 30G.
• the generation processing program 32C is an example of a "program" related to the technology disclosed herein.
• toxicity refers to the toxicity that the user 18 is interested in as an evaluation item, and examples of this include mutagenicity, sensitization, and irritation.
• Mutagenicity refers to the property of causing irreversible changes in the genetic information of an organism (the base sequence of DNA (Deoxyribonucleic acid) or the structure or number of chromosomes).
• Sensitization refers to the property of causing an allergic reaction when exposed to a chemical substance.
• Irritation refers to the property of a chemical substance or the like causing a stimuli (for example, pain or a burning sensation) to the sense of touch, etc.
• test substance A When evaluating toxicity, as shown in FIG. 3 as an example, a user 18 inputs data indicating a test substance A (hereinafter also simply referred to as "test substance A") that is the subject of metabolic prediction and toxicity evaluation to a client terminal 12 via a reception device 20.
• test substances include low molecular weight compounds (e.g., molecular weight less than 1000), sugars, peptides, proteins, and nucleic acids.
• Test substance A is an example of a "test substance” according to the technology disclosed herein.
• a screen for selecting a test substance is displayed on the screen of the display device 24, and the user 18 performs a selection operation on the selection screen to select, for example, test substance A.
• a test substance graph 52 is displayed, which shows the chemical structure of test substance A as a compound graph (i.e., a data structure in which atoms are nodes and bonds are edges).
• the user 18 clicks on an input soft key 56 by manipulating a pointer 54 displayed on the screen of the display device 24 via the mouse 22.
• This causes test substance information 58 to be transmitted from the client terminal 12 to the server 14, and a processing request is made regarding metabolic prediction and toxicity evaluation of test substance A.
• test substance information 58 is information capable of identifying the chemical structure of test substance A.
• Test substance graph 52 is, for example, image data
• test substance information 58 is information consisting of text information or numerical information that represents the chemical structure of the test substance.
• Display device 24 refers to table data or the like that records the correspondence between test substance graph 52 and test substance information 58, and reads out test substance information 58 that corresponds to the selected test substance graph 52.
• test substance information 58 is text information describing chemical structures such as structural formulas, compositional formulas, and amino acid sequences, or numerical information obtained by converting such text information into numerical values.
• data representing test substance A may be a CAS (Chemical Abstract Service) number, or the name of a chemical substance.
• test substances A There may also be multiple test substances A.
• the user 18 may input data listing multiple test substances A.
• test substance information 58 is output from the client terminal 12 to the server 14.
• the processor 30 of the server 14 executes a metabolic prediction process.
• the metabolic prediction process is a process that predicts the metabolic reaction process of the test substance that occurs when the test substance is subjected to a toxicity evaluation test and the metabolic products generated in the metabolic reaction process, and outputs the metabolic reaction process and the metabolic products as prediction results.
• the test substance and the metabolic products may be collectively referred to simply as "compounds”.
• the first acquisition unit 30A acquires the test substance information 58.
• the first acquisition unit 30A outputs the test substance information 58 to the metabolic prediction unit 30B.
• the metabolic prediction unit 30B makes a prediction regarding the metabolism in the body for the test substance A indicated by the test substance information 58.
• the prediction regarding the metabolism includes a prediction of the metabolic reactions that occur in a chain reaction starting from the test substance A, and a prediction of the metabolic products, which are compounds produced in the metabolic reactions.
• the metabolic prediction unit 30B acquires the metabolic prediction model 32D from the storage 32.
• the metabolic prediction model 32D is a model including rule data for predicting the metabolic reaction process and metabolic products.
• the processor 30 executes the metabolic prediction process based on the test substance information 58 and the rule data.
• the rule data is data representing the rules by which the metabolic reaction proceeds.
• the rule data includes, for example, information on the metabolic reaction of a compound, that is, information on what kind of structure a compound has, what kind of metabolic reaction it causes, and what kind of metabolic product it produces.
• the processor 30 predicts the metabolic reaction and the metabolic product while checking the test substance information 58 against the rule data.
• the metabolic reaction occurs not only in the test substance, but also in the metabolic product.
• the metabolic reaction occurs in a chain reaction starting from the test substance.
• the processor 30 also predicts the metabolic reaction occurring in the predicted metabolic product. In this way, the processor 30 predicts the metabolic reactions that occur in a chain reaction in each of the test substance and metabolite compounds, and records them as metabolic reaction processes.
• the metabolic prediction model 32D may be, for example, a trained model for predicting metabolic reactions using an AI (Artificial Intelligence) method.
• AI Artificial Intelligence
• Such a trained model realizes a metabolic reaction prediction function, for example, by performing machine learning using training data on a neural network.
• the training data may be, for example, a data set obtained from the results of past experiments, in which information capable of identifying a test substance is used as example data, and information capable of identifying metabolic products and information capable of identifying a metabolic reaction is used as correct answer data.
• the metabolic prediction unit 30B inputs the test substance information 58 to the metabolic prediction model 32D.
• the metabolic prediction model 32D outputs metabolic prediction information 60 according to the input test substance information 58.
• the metabolic prediction unit 30B acquires the metabolic prediction information 60 output from the metabolic prediction model 32D.
• the metabolic prediction information 60 includes metabolic reaction information 60B, which is information that can identify a predicted metabolic reaction, and metabolic product information 60A, which is information that can identify a metabolite produced by the metabolic reaction.
• the metabolic product information 60A is information that can identify the chemical structure of a metabolite, which is a compound.
• the first acquisition unit 30A outputs the test substance information 58 to the second acquisition unit 30C
• the metabolic prediction unit 30B outputs the metabolic prediction information 60 to the second acquisition unit 30C.
• the toxicity evaluation process is a process for evaluating the toxicity of at least one compound selected from the group consisting of test substances and metabolites.
• the second acquisition unit 30C outputs the test substance information 58 and the metabolic prediction information 60 to the toxicity evaluation unit 30D.
• the toxicity evaluation unit 30D evaluates the toxicity of the test substance A indicated by the test substance information 58 and the metabolic product indicated by the metabolic product information 60A.
• the toxicity evaluation unit 30D acquires the toxicity judgment flow 32E from the storage 32.
• the toxicity judgment flow 32E is described in the evaluation processing program 32B, and is shown in FIG. 4 as being stored in the storage 32.
• the toxicity judgment flow 32E is a judgment flow used to evaluate toxicity.
• the toxicity judgment flow 32E has at least one judgment step, and the path branches depending on the judgment result in the judgment step.
• the judgment items in each judgment step are determined in advance.
• the judgment items include, for example, whether or not the compound is eliminated by metabolism, whether or not the compound permeates the cell membrane, and whether or not the compound falls under the structure of concern rule.
• the structure of concern rule is a provision related to chemical structures, and is a rule that identifies a partial structure that may have a toxicity of interest to the user.
• the toxicity evaluation unit 30D inputs the test substance information 58 and the metabolite information 60A to the toxicity determination flow 32E.
• a determination regarding toxicity evaluation is performed for each determination step for either the test substance or the metabolite compound.
• the toxicity determination flow 32E is an example of a "determination flow" related to the technology disclosed herein.
• the test substance information 58 and the metabolite information 60A are collectively referred to as compound information.
• metabolite D will be taken as an example.
• compound information corresponding to compound graph D1 showing metabolite D is input to the toxicity determination flow 32E.
• step ST1 it is determined whether metabolite D shown by compound graph D1 is a compound that is not broken down by metabolism in the body and remains. If the determination in step ST1 is positive, the toxicity evaluation of metabolite D proceeds to step ST2.
• step ST1 If the determination in step ST1 is negative, the evaluation result that metabolite D is a compound that is broken down and disappears in the body (hereinafter also simply referred to as a “disappeared compound”) is output as the result of the toxicity evaluation of metabolite D.
• a metabolic enzyme forms a complex with a compound that fits into the active site of the metabolic enzyme.
• the metabolic enzyme then works to promote the metabolic reaction by lowering the energy (i.e., activation energy) required for the compound to undergo a chemical reaction.
• a "disappearing compound” is a compound whose activation energy when it forms a complex with a metabolic enzyme is lower than that of other metabolic products, and which undergoes a chemical reaction more quickly than other metabolic products, changing into the next metabolic product in a short period of time. Therefore, a disappearing compound is less likely to react with DNA in cells, and there is less need to evaluate its toxicity (i.e., evaluate it as positive or negative).
• step ST2 a descriptor calculation is performed on the compound information corresponding to the compound graph D1.
• the descriptor may be the molar mass of metabolite D or LogP (the common logarithm of the octanol/water partition coefficient).
• step ST3 a determination is made as to whether or not the compound permeates the cell membrane based on the result of the descriptor calculation of metabolite D performed in step ST2.
• the numerical value indicated by the descriptor is compared with a threshold value, and a determination is made as to whether or not the compound permeates the cell membrane based on the comparison result. If the determination in step ST3 is positive, the toxicity evaluation proceeds to step ST4. If the determination in step ST3 is negative, a negative (i.e., no toxicity) evaluation result is output as the result of the toxicity evaluation. This is because the compound does not permeate the cell membrane, and therefore is considered to have a low effect on the body.
• step ST4 the structure of concern rule is applied to the compound information corresponding to the compound graph D1.
• step ST4 the processing of step ST4 is executed, the toxicity assessment proceeds to step ST5.
• step ST5 it is determined whether or not the molecular structure indicated by the compound information corresponding to compound graph D1 contains a structure of concern. If the determination in step ST5 is negative, a negative (i.e., no toxicity) evaluation result is output as the toxicity evaluation result. This is because metabolite D does not have a structure of concern and is therefore considered unlikely to be toxic.
• a positive (i.e., toxic) evaluation result is output as the toxicity evaluation result.
• the path and determination steps taken in the toxicity determination flow 32E are shown as the toxicity evaluation of metabolite D, and an example is shown in which metabolite D is ultimately evaluated as positive.
• the toxicity determination flow 32E outputs toxicity evaluation information 62 according to the input test substance information 58 and metabolite information 60A.
• the evaluation results are linked for each test substance A and each metabolite (see Figure 4). In this way, the toxicity evaluation process is executed.
• a toxicity evaluation process is performed after a metabolic prediction process is performed
• the metabolic prediction process and the toxicity evaluation process may be performed in parallel.
• toxicity evaluation in the toxicity evaluation process may be performed sequentially on metabolic products whose production is predicted in the metabolic prediction process.
• the metabolic prediction unit 30B outputs metabolic prediction information 60 to the third acquisition unit 30E.
• the toxicity evaluation unit 30D outputs the test substance information 58 and the toxicity evaluation information 62 to the third acquisition unit 30E.
• the third acquisition unit 30E outputs the acquired test substance information 58, metabolic prediction information 60, and toxicity evaluation information 62 to the image generation unit 30F.
• the image generation unit 30F generates a display image 64 based on the test substance information 58, metabolic prediction information 60, and toxicity evaluation information 62.
• the display image 64 is an image showing the results of the prediction regarding metabolism and the results of the toxicity evaluation of the compound.
• the display image 64 is an image that identifiably shows the evaluation results of the toxicity of the compound in a metabolic reaction process that systematically shows metabolic reactions and metabolic products that occur in a chain reaction starting from the test substance.
• the display image 64 is an example of a "display image" related to the technology disclosed herein.
• the display image 64 includes compound images 66 showing compound graphs for each of the test substance A and metabolites B to D.
• the display image 64 also includes connection lines 68 connecting the compound images 66 before and after the metabolic reaction.
• Metabolites B to D are an example of a "metabolite” according to the technology of the present disclosure
• the compound image 66 is an example of "compound data” according to the technology of the present disclosure
• the connection lines 68 are an example of a "connection line” according to the technology of the present disclosure.
• a compound image 66A showing a compound graph of test substance A is displayed in the left portion of display image 64. Furthermore, a compound image 66B showing a compound graph of metabolite B is displayed in the center portion of display image 64. A connecting line 68A is displayed between compound image 66A and compound image 66B.
• a compound image 66C showing the compound graph of metabolite C is shown in the upper right portion of the display image 64.
• a connecting line 68B is shown between compound image 66B and compound image 66C.
• a compound image 66D showing the compound graph of metabolite D is shown in the lower right portion of the display image 64.
• a connecting line 68C is shown between compound image 66B and compound image 66D.
• the borders of the compound image 66A showing test substance A and the compound image 66B showing metabolite B are dashed lines. This indicates that the test substance A and metabolite B are disappearing compounds.
• the borders of the compound image 66C showing metabolite C are dotted lines. This indicates that the toxicity evaluation result of metabolite C is "not toxic.”
• the borders of the compound image 66D showing metabolite D are solid lines. This indicates that the toxicity evaluation result of metabolite D is "toxic.”
• the evaluation result of the toxicity of the compound is identifiably displayed in the display image 64.
• the display image 64 shows a compound image 66B indicating metabolite B, which is a disappeared compound, and identifiably shows that metabolite B is a disappeared compound.
• the image generating unit 30F outputs the generated display image 64 to the output unit 30G.
• the output unit 30G of the server 14 executes control to output a display image 64 to the client terminal 12.
• the server 14 transmits information indicating the display image 64 to the client terminal 12.
• a screen 24A including the display image 64 is displayed on the display device 24 of the client terminal 12.
• a display image 64 is displayed in a window 70.
• the display image 64 shows a metabolic reaction process as a tree diagram that systematically illustrates the metabolic reactions and metabolites B to D that occur in a chain reaction starting from the test substance A.
• the display image 64 also shows the toxicity evaluation results of the compound in an identifiable manner. By visually checking the display image 64, the user 18 can grasp the metabolic prediction results for the test substance A and the toxicity evaluation results for the test substance A and metabolites B to D.
• the server control process is a process executed by the server 14, and includes the metabolic prediction process, toxicity evaluation process, and image generation process described above.
• FIG. 8 is a flowchart showing an example of the server control process. The process flow shown in FIG. 8 is an example of an "information processing method" according to the technology of the present disclosure.
• step ST10 the first acquisition unit 30A determines whether or not the test substance information 58 has been acquired. If it is determined in step ST10 that the test substance information 58 has been acquired, the determination is affirmative, and the server control process proceeds to step ST12. If it is determined in step ST10 that the test substance information 58 has not been acquired, the determination is negative, and the server control process returns to step ST10.
• step ST12 the metabolic prediction unit 30B predicts a metabolic reaction based on the test substance information 58 acquired in step ST10. Specifically, the metabolic prediction unit 30B inputs the test substance information 58 to the metabolic prediction model 32D. The metabolic prediction model 32D outputs metabolic prediction information 60 indicating metabolic products corresponding to the test substance A. The metabolic prediction unit 30B acquires the metabolic prediction information 60.
• the server control processing proceeds to step ST14.
• step ST14 the second acquisition unit 30C acquires the test substance information 58 and the metabolite information 60A. After the processing of step ST14 is executed, the server control processing proceeds to step ST16.
• step ST16 the toxicity evaluation unit 30D evaluates the toxicity of the test substance indicated by the test substance information 58 acquired in step ST14, and the metabolite indicated by the metabolite information 60A. Specifically, the toxicity evaluation unit 30D performs toxicity evaluation of the test substance and the metabolite using the toxicity determination flow 32E. The toxicity evaluation unit 30D acquires toxicity evaluation information 62, which is information indicating the results of the toxicity evaluation of the test substance and the metabolite.
• the server control processing proceeds to step ST18.
• step ST18 the third acquisition unit 30E acquires the test substance information 58, the metabolic prediction information 60, and the toxicity evaluation information 62. After the processing of step ST18 is executed, the server control processing proceeds to step ST20.
• step ST20 the image generating unit 30F generates a display image 64 based on the test substance information 58, the metabolic prediction information 60, and the toxicity evaluation information 62 acquired in step ST18.
• the display image 64 is an image that identifiably shows the evaluation result of the toxicity of a compound in a metabolic reaction process that systematically shows the metabolic reactions and metabolic products that occur in a chain reaction starting from the test substance.
• the display image 64 also includes an image showing a disappeared compound, and identifiably shows that the metabolic product is a disappeared compound.
• step ST22 the output unit 30G executes control to output the display image 64 generated by the image generation unit 30F in step ST20 to the client terminal 12. Specifically, the output unit 30G transmits the display image 64 to the client terminal 12.
• step ST24 the server control processing proceeds to step ST24.
• step ST24 the output unit 30G determines whether or not a condition for terminating the server control process (hereinafter referred to as the "termination condition") has been satisfied.
• a termination condition is that the display image 64 has been sent to the client terminal 12.
• Another example of a termination condition is that an instruction to terminate the server control process has been accepted. If the termination condition is not satisfied in step ST24, the determination is negative, and the server control process proceeds to step ST10. If the termination condition is satisfied in step ST24, the determination is positive, and the server control process terminates.
• the display image 64 is generated in the processor 30 of the server 14.
• the display image 64 shows the predicted results of the metabolic reaction in the body of the test substance A and the metabolites B to D generated by the metabolic reaction, and the evaluation result of the toxicity of at least one compound among the compound group consisting of the test substance A and the metabolites B to D.
• the display image 64 also shows the evaluation result of the toxicity of the compound in a distinguishable manner in the metabolic reaction process that systematically shows the metabolic reaction and the metabolites B to D that occur in a chain starting from the test substance A.
• the evaluation result of metabolite B, which disappears in the metabolic reaction process is displayed in the display image 64 in a manner that makes it distinguishable from the other metabolites C and D.
• metabolite B which disappears in the metabolic reaction process
• the disappearing metabolite B it becomes easier for the user to focus on metabolic products other than the disappeared compound, making it easier to understand the metabolic reaction process.
• the metabolic reaction process shown in the display image 64 is a tree diagram represented by compound images 66 representing the test substance A and each of the metabolites B to D, and connecting lines 68 connecting the compound images 66 before and after the metabolic reaction.
• the display mode of the result of the toxicity assessment may be any mode that allows the user 18 to identify the result of the toxicity assessment, and may be, for example, a mode in which the color (e.g., red for positive, green for negative, gray for lost compound), shape (e.g., circle, triangle, or square), and/or thickness of the border of the compound image 66 showing the compound is changed. Also, a mode in which letters and/or marks indicating the toxicity assessment are added within the compound image 66 may be used.
• toxicity assessment results shown in the display image 64 are displayed for all compounds, but the technology of the present disclosure is not limited to this.
• the toxicity assessment results for some compounds may not need to be displayed.
• the bond lines 68 in the display image 64 are arrows has been described, but the technology of the present disclosure is not limited to this.
• the bond lines 68 may be any lines that connect the compound images 66 that show the compounds before and after the reaction, and the bond lines 68 may be straight or curved.
• test substance A and metabolites B to D are displayed by the compound image 66 showing a compound graph in the display image 64, but the technology of the present disclosure is not limited to this. It is sufficient for the user 18 to be able to recognize the test substance A and metabolites B to D in the display image 64, and an image showing the CAS number, substance name, or structural formula may be displayed instead of or together with the compound image 66.
• the third acquisition unit 30E acquires test substance information 58, metabolic prediction information 60, and toxicity assessment information 62.
• the metabolic prediction information 60 includes metabolite information 60A and reaction name information 60C.
• the reaction name information 60C is information that can identify the name of a metabolic reaction.
• the reaction name information 60C is generated together with metabolic reaction information 60B in the metabolic prediction process.
• the image generation unit 30F generates a display image 64 based on the test substance information 58, metabolic prediction information 60, and toxicity assessment information 62.
• the display image 64 includes compound images 66 showing compound graphs for each of the test substance A and metabolites B to D.
• the display image 64 also includes connection lines 68 that connect the compound images 66 before and after the metabolic reaction.
• the reaction name of the metabolic reaction is associated with the connection lines 68 based on the reaction name information 60C.
• the output unit 30G of the server 14 executes control to output a display image 64 to the client terminal 12.
• a screen 24A including the display image 64 is displayed on the display device 24 of the client terminal 12.
• a display image 64 is displayed in a window 70.
• a metabolic reaction process that systematically shows the metabolic reactions and metabolites B to D that occur in a chain reaction starting from the test substance A is shown as a tree diagram, and the evaluation results of the toxicity of the compound are also shown in an identifiable manner.
• letters indicating the reaction names that correspond to the connecting lines 68 are displayed.
• the display image 64 displays the text "oxidative desulfurization" above the bond line 68A. This indicates that test substance A is transformed into metabolic product B by oxidative desulfurization. Also, in the display image 64, the text "hydrolysis of phosphate ester” is displayed above the bond line 68B. This indicates that metabolic product B is transformed into metabolic product C by hydrolysis of the phosphate ester. Also, in the display image 64, the text "hydrolysis of phosphate ester" is displayed below the bond line 68C. This indicates that metabolic product B is transformed into metabolic product D by hydrolysis of the phosphate ester. In this way, the bond lines 68 and the reaction names are displayed in correspondence with each other in the display image 64.
• User 18 can understand the results of the metabolic prediction and the toxicity assessment by visually checking display image 64. User 18 can also recognize the names of the metabolic reactions by visually checking display image 64.
• the image generating unit 30F in the processor 30 of the server 14 generates a display image 64.
• the display image 64 includes a connection line 68 that connects compound images 66 before and after a metabolic reaction.
• the name of the metabolic reaction is displayed in association with the connection line 68. This makes it easier to understand what reaction caused the compound to change during the metabolic reaction process. As a result, it becomes easier to understand the metabolic reaction process compared to when the reaction name is not displayed.
• the third acquisition unit 30E acquires the test substance information 58, the metabolic prediction information 60, and the toxicity evaluation information 62.
• the metabolic prediction information 60 includes the metabolite information 60A and the causative structure information 60D.
• the causative structure information 60D is the chemical structure that caused the metabolic reaction, and is information that can identify the partial structure (hereinafter also simply referred to as the "causative structure") contained in the compound before the reaction.
• the causative structure information 60D is generated together with the metabolic reaction information 60B in the metabolic prediction process.
• the image generation unit 30F generates a display image 64 based on the test substance information 58, the metabolic prediction information 60, and the toxicity evaluation information 62.
• the display image 64 includes compound images 66 showing compound graphs for each of the test substance A and metabolites B to D.
• the display image 64 also includes connection lines 68 that connect the compound images 66 before and after the metabolic reaction.
• the connection lines 68 are associated with causal structures based on the causal structure information 60D.
• the output unit 30G of the server 14 executes control to output a display image 64 to the client terminal 12.
• a screen 24A including the display image 64 is displayed on the display device 24 of the client terminal 12.
• a display image 64 is displayed in a window 70.
• a metabolic reaction process that systematically shows the metabolic reactions and metabolites B to D that occur in a chain starting from the test substance A is shown as a tree diagram, and the evaluation results of the toxicity of the compound are also shown in an identifiable manner.
• a bond line 68 is selected in the display image 64
• a causal structure is displayed.
• a causal structure image 64A is displayed in a pop-up in the display image 64, which shows the causal structure in the reaction in which metabolite B changes to metabolite C.
• User 18 can grasp the results of the metabolic prediction and the toxicity assessment by visually checking display image 64. User 18 can also recognize the causal structure by visually checking causal structure image 64A.
• the image generating unit 30F in the processor 30 of the server 14 generates a display image 64.
• the display image 64 includes a bond line 68 that connects compound images 66 before and after a metabolic reaction.
• a causative structure image 64A is displayed. This makes it easier to understand what chemical structure caused the compound to change in the metabolic reaction process. As a result, the metabolic reaction process becomes easier to understand.
• the image generating unit 30F generates a display image 64 based on the test substance information 58, the metabolic prediction information 60, and the toxicity evaluation information 62.
• the display image 64 includes compound images 66E to 66J showing compounds.
• the display image 64 also includes a connecting line 68 connecting the compound images 66 before and after the metabolic reaction.
• the metabolic reaction process is systematically shown by the compound images 66F to 66J.
• the metabolic reaction processes shown in the display image 64 in FIG. 13 have in common partial metabolic reaction processes that start from different metabolic products.
• the partial metabolic reaction processes are displayed together.
• a partial process image 64B is displayed showing a partial metabolic reaction process that starts from a metabolite shown by compound image 66F and changes in the order of compound image 66I and compound image 66J.
• a partial process image 64C is displayed showing a partial metabolic reaction process that starts from a metabolite shown by compound image 66G and changes in the order of compound image 66I and compound image 66J. Since the partial process images 64B and 64C have a common reaction process, they are displayed together.
• the output unit 30G of the server 14 executes control to output a display image 64 to the client terminal 12.
• a screen 24A including the display image 64 is displayed on the display device 24 of the client terminal 12.
• a display image 64 is displayed in a window 70.
• the metabolic reaction processes are shown as a tree diagram, and the toxicity evaluation results of the compounds are identifiable.
• the display image 64 displays all of the common partial metabolic reaction processes (here, the reaction processes in which the metabolic product shown by the compound image 66I changes into the metabolic product shown by the compound image 66J). By visually checking the display image 64, the user 18 can grasp the metabolic prediction results and the toxicity evaluation results.
• the partial metabolic reaction processes are displayed together. This makes it easier to view the entire display image 64, and further allows the display range of the display image 64 to be reduced, since the common parts of the partial metabolic reaction processes are displayed together.
• the image generating unit 30F generates a display image 64 based on the test substance information 58, the metabolic prediction information 60, the toxicity evaluation information 62, and the toxicity determination flow 32E.
• the display image 64 includes compound images 66 showing compound graphs for each of the test substance A and metabolites B to D.
• the display image 64 also includes a connecting line 68 connecting the compound images 66 before and after the metabolic reaction.
• the display image 64 also includes a flow image 64D showing the toxicity determination flow 32E.
• the toxicity evaluation information 62 includes information showing the result of the toxicity evaluation as well as information showing the path leading to the result of the toxicity evaluation in the toxicity determination flow 32E (hereinafter also simply referred to as the "evaluation path").
• the compound shown by the compound image 66 is associated with the evaluation path of the toxicity determination flow 32E.
• the server 14 executes control to output a display image 64 to the client terminal 12.
• a screen 24A including the display image 64 is displayed on the display device 24 of the client terminal 12.
• the display image 64 shows a metabolic reaction process as a tree diagram that systematically shows the metabolic reactions and metabolites B to D that occur in a chain reaction starting from the test substance A, and also shows the evaluation results of the toxicity of the compound in an identifiable manner.
• an evaluation path is displayed in the flow image 64D.
• the evaluation path of metabolite D shown by the compound image 66D (here, the path leading to "positive") is displayed in the flow image 64D.
• the evaluation path is shown distinguishable from other paths in the toxicity assessment flow 32E. In the example shown in FIG. 16, the evaluation path is shown in bold, and the other paths are shown in dashed lines.
• the evaluation route is displayed so that it can be distinguished from other routes by changing the type of line that indicates the evaluation route, but this is merely one example.
• the evaluation route may also be distinguished from other routes by changing its color, or by surrounding it with a frame.
• User 18 can grasp the results of the metabolic prediction and the toxicity evaluation by visually checking display image 64. User 18 can also recognize the evaluation pathway by visually checking flow image 64D.
• a flow image 64D is displayed in which the evaluation path of the selected compound is shown in a manner that is distinguishable from the other paths among the multiple paths in the toxicity determination flow 32E. This makes it easier to understand what evaluation path was followed in the toxicity evaluation.
• the server 14 executes control to output a display image 64 to the client terminal 12.
• the display image 64 is displayed on the screen 24A of the display device 24.
• a zoom-in soft key 64E, a zoom-out soft key 64F, and an adjust soft key 64G are displayed below the display image 64.
• the zoom in soft key 64E is a soft key for increasing the display magnification of the metabolic reaction process
• the zoom out soft key 64F is a soft key for decreasing the display magnification of the metabolic reaction process.
• the user 18 increases or decreases the display magnification of the metabolic reaction process by pressing the zoom in soft key 64E or the zoom out soft key 64F via the pointer 54.
• the adjust soft key 64G is a soft key for returning the display range of the metabolic reaction process to its original state. The user 18 returns the display range of the metabolic reaction process to the state before the display range was changed by pressing the adjust soft key 64G via the pointer 54. In this way, the display range of the metabolic reaction process can be adjusted in the display image 64.
• the display range of the metabolic reaction process can be adjusted in the display image 64.
• the display range of the metabolic reaction process it becomes easier to understand the metabolic reaction process when the metabolic reaction process is complex (for example, when the metabolic reaction process branches multiple times and many metabolic products are produced).
• the display range is enlarged or reduced by the zoom-in soft key 64E or the zoom-out soft key 64F, but the technology of the present disclosure is not limited to this.
• the display image 64 may be enlarged or reduced by operating the wheel.
• the metabolism prediction process, the toxicity evaluation process, and the image generation process are performed in the server 14, but the technology of the present disclosure is not limited to this.
• the metabolism prediction process and the toxicity evaluation process are performed in the server 14, and the image generation process is performed in the client terminal 12.
• the client terminal 12 is an example of an "information processing device" according to the technology of the present disclosure.
• the client terminal 12 includes a computer 38, a reception device 20, a display device 24, a communication I/F 40, an external I/F 42, and a bus 50.
• the computer 38 includes a processor 44, a storage 46, and a RAM 48.
• the processor 44, the storage 46, the RAM 48, the reception device 20, the display device 24, the communication I/F 40, and the external I/F 42 are connected to the bus 50.
• computer 38 i.e., processor 44, storage 46, and RAM 48
• the hardware configuration of computer 38 is basically the same as the hardware configuration of computer 26, so a description of the hardware configuration of computer 38 will be omitted here.
• the communication I/F 40 is connected to the network 16.
• the communication I/F 40 is responsible for sending and receiving information to and from an external communication device (e.g., server 14) via the network 16.
• the communication I/F 40 transmits information in response to a request from the processor 44 to the external communication device via the network 16.
• the communication I/F 40 also receives information transmitted from the external communication device, and outputs the received information to the processor 44 via the bus 50.
• the external I/F 42 is responsible for transmitting and receiving various types of information between the client terminal 12 and an external device (not shown) that exists outside the client terminal 12.
• the external device may be, for example, at least one of a smart device, a personal computer, a server, a Universal Serial Bus (USB) memory, a memory card, and a printer.
• An example of the external I/F 42 is a USB interface.
• the external device is directly or indirectly connected to the USB interface.
• Control processing program 46A is a program for executing image display control.
• Processor 30 reads control processing program 46A from storage 46 and executes read control processing program 46A on RAM 48 to perform display control processing.
• the display control processing is realized by processor 44 operating as acquisition unit 44A, image generation unit 44B, and display control unit 44C.
• Computer 38 is an example of a "computer” according to the technology disclosed herein, and control processing program 46A is an example of a "program" according to the technology disclosed herein.
• the metabolic prediction unit 30B outputs metabolic prediction information 60 obtained by the metabolic prediction process to the output unit 30G.
• the toxicity evaluation unit 30D outputs toxicity evaluation information 62 obtained by the toxicity evaluation process to the output unit 30G.
• the output unit 30G outputs the metabolic prediction information 60 and the toxicity evaluation information 62 to the client terminal 12 via the network 16.
• the acquisition unit 44A acquires the metabolic prediction information 60 and the toxicity evaluation information 62 via the network 16.
• the acquisition unit 44A then outputs the metabolic prediction information 60 and the toxicity evaluation information 62 to the image generation unit 44B.
• the image generation unit 44B generates a display image 64 based on the metabolic prediction information 60 and the toxicity evaluation information 62.
• the image generation unit 44B then outputs the generated display image 64 to the display control unit 44C.
• the display control unit 44C controls a GUI (Graphical User Interface) to display the display image 64, thereby causing the display device 24 to display the display image 64.
• GUI Graphic User Interface
• the metabolism prediction process, the toxicity evaluation process, and the image generation process are performed in the server 14, but the technology of the present disclosure is not limited to this.
• the metabolism prediction process, the toxicity evaluation process, and the image generation process are performed in the client terminal 12.
• the client terminal 12 is an example of an "information processing device" according to the technology of the present disclosure.
• the client terminal 12 receives test substance information 58 via the reception device 20.
• the metabolic prediction unit 44D performs metabolic prediction of the test substance A based on the test substance information 58.
• the toxicity evaluation unit 44E performs toxicity evaluation of the test substance A and metabolites B to D.
• the image generation unit 44B generates a display image 64 based on the metabolic prediction information 60 and the toxicity evaluation information 62.
• the display control unit 44C causes the display device 24 to display the display image 64. By visually checking the display image 64, the user 18 can grasp the results of the metabolic prediction for the test substance A and the results of the toxicity evaluation of the test substance A and metabolites B to D.
• the server 14 or the client terminal 12 may receive already obtained metabolic prediction information 60 and toxicity evaluation information 62 (e.g., metabolic prediction information 60 and toxicity evaluation information 62 obtained as a result of processing by an external device, or metabolic prediction information 60 and toxicity evaluation information 62 obtained in the past), and execute the image generation process.
• metabolic prediction information 60 and toxicity evaluation information 62 obtained by executing the metabolic prediction process and the toxicity evaluation process
• the server 14 or the client terminal 12 may receive already obtained metabolic prediction information 60 and toxicity evaluation information 62 (e.g., metabolic prediction information 60 and toxicity evaluation information 62 obtained as a result of processing by an external device, or metabolic prediction information 60 and toxicity evaluation information 62 obtained in the past), and execute the image generation process.
• the prediction processing program 32A, the evaluation processing program 32B, and the generation processing program 32C are stored in the storage 32, but the technology of the present disclosure is not limited to this.
• the prediction processing program 32A, the evaluation processing program 32B, and the generation processing program 32C may be stored in a portable storage medium such as an SSD or a USB memory.
• the storage medium is a non-transitory computer-readable storage medium.
• the prediction processing program 32A, the evaluation processing program 32B, and the generation processing program 32C stored in the storage medium are installed in the computer 26.
• the processor 30 executes the control processing of the server 14 according to the prediction processing program 32A, the evaluation processing program 32B, and the generation processing program 32C.
• the control processing program 46A may be stored in a storage medium instead of the storage 46.
• computers 26 and 38 are exemplified, but the technology of the present disclosure is not limited to this, and devices including an ASIC (Application Specific Integrated Circuit), an FPGA (Field Programmable Gate Array), and/or a PLD (Programmable Logic Device) may be applied instead of computers 26 and 38. Also, a combination of hardware and software configurations may be used instead of computers 26 and 38.
• ASIC Application Specific Integrated Circuit
• FPGA Field Programmable Gate Array
• PLD Protein Deposition
• computers 26 and 38 are exemplified, but the technology of the present disclosure is not limited to this, and devices including an ASIC (Application Specific Integrated Circuit), an FPGA (Field Programmable Gate Array), and/or a PLD (Programmable Logic Device) may be applied instead of computers 26 and 38. Also, a combination of hardware and software configurations may be used instead of computers 26 and 38.
• processors listed below can be used as hardware resources for executing the various processes described in the above embodiments.
• An example of a processor is a CPU, which is a general-purpose processor that functions as a hardware resource for executing metabolic prediction processing, toxicity evaluation processing, and/or image generation processing (hereinafter simply referred to as "various processes") by executing software, i.e., a program.
• Another example of a processor is a dedicated electronic circuit, which is a processor having a circuit configuration designed specifically for executing specific processes, such as an FPGA, PLD, or ASIC. All of the processors have built-in or connected memory, and all of the processors execute the various processes by using the memory.
• the hardware resource that executes the various processes may be composed of one of these various processors, or may be composed of a combination of two or more processors of the same or different types (for example, a combination of multiple FPGAs, or a combination of a processor and an FPGA). Also, the hardware resource that executes the various processes may be a single processor.
• a configuration using a single processor firstly, there is a configuration in which one processor is configured by combining one or more processors with software, and this processor functions as a hardware resource that executes various processes. Secondly, there is a configuration in which a processor is used that realizes the functions of the entire system, including multiple hardware resources that execute various processes, on a single IC (Integrated Circuit) chip, as typified by SoC (System-on-a-chip). In this way, various processes are realized using one or more of the above-mentioned various processors as hardware resources.
• IC Integrated Circuit
• these various processors can be electronic circuits that combine circuit elements such as semiconductor elements.
• the various processes described above are merely examples. It goes without saying that unnecessary steps can be deleted, new steps can be added, and the order of processing can be changed without departing from the spirit of the invention.
• a and/or B is synonymous with “at least one of A and B.”
• a and/or B means that it may be just A, or just B, or a combination of A and B.
• the same concept as “A and/or B” is also applied when three or more things are expressed by linking them with “and/or.”
• the processor is a display image showing a predicted result of a metabolic reaction of a test substance in the body and a metabolic product generated by the metabolic reaction, and an evaluation result of the toxicity of at least one compound of a compound group consisting of the test substance and the metabolic product, the display image showing the evaluation result of the compound in a identifiable manner in a metabolic reaction process that systematically shows the metabolic reaction and the metabolic product that occur in a chain reaction starting from the test substance; Execute control to output the generated display image; The metabolic products systematically displayed in the display image include a lost compound that is lost in the metabolic reaction process.
• the information processing device according to claim 1, wherein the evaluation result of the disappeared compound is displayed in the display image so as to be distinguishable from other metabolic products.

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