Method and system for screening female reproductive drugs in reproductive department

Abstract

The invention relates to the technical field of molecular docking, and discloses a method and system for screening female reproductive drugs in the reproductive department, and the method comprises the steps: constructing a female reproductive drug screening platform of a target female user, defining a data analysis algorithm of a user port, analyzing reproductive department examination data and reproductive demands into physiological parameters of the target user, and carrying out the screening of the female reproductive drugs. Mapping the physiological status to a related target protein, retrieving molecular data of the related target protein, and matching the molecular data with a ligand molecule of the related target protein; the method comprises the following steps: performing in-vitro culture on target cells, adding ligand molecules into in-vitro culture tissues, detecting cell viability, gene expression and protein expression of ligand test tissues, analyzing enhancement effects of the ligand molecules on the ligand test tissues, calculating gain coefficients of the enhancement effects, and screening optimal ligand molecules of the ligand molecules. And determining the female reproductive drug of the target female user. The screening efficiency and accuracy of the female reproductive drugs in the reproductive department can be improved.

Description

Technical Field

[0001] The present invention relates to the technical field of molecular docking, and particularly to a screening method and system for female reproductive drugs in the reproductive department. Background Art

[0002] Female reproductive drugs refer to a class of drugs specifically used for the female reproductive system and related diseases, such as hormonal drugs, ovulation induction drugs, contraceptive drugs, etc. Since different women may respond differently to drugs, screening can help identify which drugs may cause serious side effects, thereby reducing unnecessary risks.

[0003] Currently, the main method for screening female reproductive drugs is the high-throughput screening method. This method mainly uses automated equipment to quickly screen a large number of compounds to find bioactive compounds. Since this method ignores compounds with complex mechanisms of action and cannot fully simulate the in-vivo biological environment, it is impossible to predict the actual behavior of drugs in the body, resulting in inaccurate drug screening. Summary of the Invention

[0004] The present invention provides a screening method and system for female reproductive drugs in the reproductive department, and its main purpose is to improve the efficiency and accuracy of screening female reproductive drugs in the reproductive department.

[0005] To achieve the above object, a screening method for female reproductive drugs in the reproductive department provided by the present invention includes:

[0006] Obtain the reproductive examination data and reproductive needs of the target female user, and construct a female reproductive drug screening platform for the target female user. Among them, the female reproductive drug screening platform includes: a user port, a data processing module, a chemical information database, and a molecular docking module;

[0007] Define the data parsing algorithm of the user port. Based on the data parsing algorithm, parse the reproductive examination data and the reproductive needs into the physiological parameters of the target user. Based on the physiological parameters, use the data processing module to analyze the physiological state of the target female user, and map the physiological state to the relevant target proteins. Define the retrieval algorithm of the chemical information database. Based on the chemical information database, use the retrieval algorithm to retrieve the molecular data of the relevant target proteins. Define the task allocation algorithm of the molecular docking module. Based on the molecular data, use the task allocation algorithm to match the ligand molecules of the relevant target proteins;

[0008] According to the physiological state, extract the target cells of the target female user, construct an in vitro culture environment for the target cells, based on the in vitro culture environment, perform in vitro culture on the target cells to obtain an in vitro cultured tissue, construct a physiological environment for the in vitro cultured tissue, and based on the physiological environment, add the ligand molecule to the in vitro cultured tissue to obtain a ligand test tissue;

[0009] Detect the cell viability, gene expression, and protein expression of the ligand test tissue, analyze the enhancement effect of the ligand molecule on the ligand test tissue according to the cell viability, the gene expression, and the protein expression, calculate the gain coefficient of the enhancement effect, based on the gain coefficient, screen the optimal ligand molecule of the ligand molecule, and based on the optimal ligand molecule, determine the female reproductive drug for the target female user.

[0010] To solve the above problems, the present invention also provides a screening system for female reproductive drugs in the reproductive department, and the system includes:

[0011] A screening platform construction module, configured to obtain the reproductive department examination data and reproductive needs of the target female user, and construct a screening platform for female reproductive drugs for the target female user, wherein the screening platform for female reproductive drugs includes: a user port, a data processing module, a chemical information database, and a molecular docking module;

[0012] A ligand molecule screening module, configured to define a data parsing algorithm for the user port, based on the data parsing algorithm, parse the reproductive department examination data and the reproductive needs into physiological parameters of the target user, based on the physiological parameters, analyze the physiological state of the target female user by using the data processing module, and map the physiological state to relevant target proteins, define a retrieval algorithm for the chemical information database, based on the chemical information database, use the retrieval algorithm to retrieve molecular data of the relevant target proteins, define a task allocation algorithm for the molecular docking module, and based on the molecular data, use the task allocation algorithm to match ligand molecules of the relevant target proteins;

[0013] A ligand test module, configured to according to the physiological state, extract the target cells of the target female user, construct an in vitro culture environment for the target cells, based on the in vitro culture environment, perform in vitro culture on the target cells to obtain an in vitro cultured tissue, construct a physiological environment for the in vitro cultured tissue, and based on the physiological environment, add the ligand molecule to the in vitro cultured tissue to obtain a ligand test tissue;

[0014] A drug screening module for detecting the cell activity, gene expression, and protein expression of the ligand test tissue, analyzing the promoting effect of the ligand molecule on the ligand test tissue based on the cell activity, the gene expression, and the protein expression, calculating the gain coefficient of the promoting effect, screening the optimal ligand molecule of the ligand molecule based on the gain coefficient, and determining the female reproductive drug for the target female user based on the optimal ligand molecule.

[0015] In the embodiment of the present invention, by constructing a female reproductive drug screening platform for the target female user, more efficient, safe, and personalized services can be provided, thereby improving the level of female reproductive health as a whole; optionally, in the embodiment of the present invention, by based on the data analysis algorithm, parsing the reproductive department examination data and the reproductive needs into the physiological parameters of the target user, potential reproductive health problems can be predicted by analyzing the trend of the physiological parameters, realizing early intervention; in the embodiment of the present invention, by mapping the physiological state to the relevant target proteins, it is helpful to deeply understand the occurrence and development mechanism of the physiological state, significantly improving the quality and efficiency of medical services; in the embodiment of the present invention, by based on the molecular data, using the task allocation algorithm to match the ligand molecules of the relevant target proteins, a large amount of molecular and target data can be processed, supporting diverse screening strategies, and at the same time, the efficiency of ligand molecule screening can be significantly improved, shortening the screening cycle, and quickly identifying potential ligand candidate molecules; in the embodiment of the present invention, by based on the physiological environment, adding the ligand molecules to the in vitro cultured tissue to obtain the ligand test tissue, personalized drug testing can be performed on the ligand response of a specific target female user, improving the accuracy of drug screening. Finally, in the embodiment of the present invention, by based on the optimal ligand molecule, determining the female reproductive drug for the target female user can ensure safety and effectiveness while providing higher-quality drug choices for female users. Therefore, the present invention can improve the efficiency and accuracy of female reproductive drug screening in the reproductive department. Brief Description of the Drawings

[0016] Figure 1 It is a flowchart of a method for screening female reproductive drugs in the reproductive department provided by an embodiment of the present invention;

[0017] Figure 2 It is a functional module diagram of a system for screening female reproductive drugs in the reproductive department provided by an embodiment of the present invention;

[0018] The realization, functional features, and advantages of the object of the present invention will be further described in conjunction with the embodiments with reference to the accompanying drawings. Detailed Embodiments

[0019] It should be understood that the specific embodiments described herein are only used to explain the present invention and are not used to limit the present invention.

[0020] An embodiment of the present application provides a method for screening reproductive drugs for women in the reproductive department. The execution subject of the method for screening reproductive drugs for women in the reproductive department includes, but is not limited to, at least one of electronic devices such as a server, a terminal, etc. that can be configured to execute the method provided by the embodiment of the present application. In other words, the method for screening reproductive drugs for women in the reproductive department can be executed by software or hardware installed on a terminal device or a server device, and the software can be a blockchain platform. The server includes, but is not limited to: a single server, a server cluster, a cloud server, or a cloud server cluster, etc. The server can be an independent server or a cloud server that provides basic cloud computing services such as cloud services, cloud databases, cloud computing, cloud functions, cloud storage, network services, cloud communications, middleware services, domain name services, security services, Content Delivery Network (CDN), and big data and artificial intelligence platforms.

[0021] Refer to Figure 1 As shown, it is a schematic flowchart of a method for screening reproductive drugs for women in the reproductive department provided by an embodiment of the present invention. In this embodiment, the method for screening reproductive drugs for women in the reproductive department includes:

[0022] S1. Obtain the reproductive examination data and reproductive needs of the target female user, and construct a female reproductive drug screening platform for the target female user, where the female reproductive drug screening platform includes: a user port, a data processing module, a chemical information database, and a molecular docking module.

[0023] By obtaining the reproductive examination data and reproductive needs of the target female user, the embodiment of the present invention can provide a personalized drug screening plan for each user, improving the targeting and effectiveness of the drugs. Among them, the reproductive examination data refers to medical examination results and data related to the health status of the female reproductive system, such as hormone level test data, ultrasonic examination data, genetic examination data, etc. The reproductive needs refer to specific goals and wishes of women in reproductive health.

[0024] By constructing the female reproductive drug screening platform for the target female user, the embodiment of the present invention can provide more efficient, safe, and personalized services, thereby improving the overall level of female reproductive health. Among them, the female reproductive drug screening platform refers to a system specially designed for women, which uses information technology, data analysis, and bioinformatics tools to screen and recommend reproductive-related drugs suitable for their personal situations based on their reproductive examination data and reproductive needs.

[0025] As an embodiment of the present invention, the construction of the female reproductive drug screening platform for the target female user includes:

[0026] Clarify the construction objectives, platform functions, and service scopes of the to-be-constructed platform corresponding to the target female users;

[0027] Based on the construction objectives, platform functions, and service scopes, construct the access interface of the to-be-constructed platform;

[0028] Write the interface elements of the access interface, define the interaction behaviors of the interface elements, and construct the user port of the to-be-constructed platform according to the interface elements, the access interface, and the interaction behaviors;

[0029] Determine the data interface of the user port and construct the data cleaning module of the data interface;

[0030] Define the data feature extraction algorithm of the to-be-constructed platform and construct the data analysis module of the data of the to-be-constructed platform according to the data interface, the data cleaning module, and the data feature extraction algorithm;

[0031] Construct the database of the data of the to-be-constructed platform and determine the mining objectives required by the database according to the construction objectives;

[0032] Based on the mining objectives, mine the target data of the preset public database, fill the target data into the database, and obtain the chemical information database;

[0033] Determine the molecular docking software of the chemical information database and construct the molecular docking module of the to-be-constructed platform according to the molecular docking software;

[0034] Construct the female reproductive drug screening platform for the target users according to the user port, the data processing module, the chemical information database, and the molecular docking module.

[0035] Among them, the construction objective refers to the specific purposes and achievements expected to be achieved in creating a female reproductive drug screening platform for target female users. The platform function refers to the ability of the female reproductive drug screening platform to provide a series of operations and services for users. The service scope refers to the specific service content provided by the female reproductive drug screening platform and the covered fields. The access interface refers to the interface through which users interact with the female reproductive drug screening platform. The interface elements refer to the various visual and interactive components that make up the access interface, such as text elements, input elements, buttons, and links, etc. The interaction behavior refers to the interaction methods and response rules between users and the interface elements of the female reproductive drug screening platform, such as click events, input operations, drag-and-drop behaviors, etc. The user port refers to the interactive interface and function set specifically designed for users in the female reproductive drug screening platform. The data interface refers to the software component used for data exchange and communication in the female reproductive drug screening platform. The data cleaning module refers to the software component in the female reproductive drug screening platform used to process and purify the data uploaded by users. The data feature extraction algorithm refers to the computational method used to process, interpret, and extract valuable information from data. The data analysis module refers to the part of the female reproductive drug screening platform specifically responsible for processing, interpreting, and extracting useful information from data. The database refers to the system used to store, manage, and retrieve data in the female reproductive drug screening platform. The mining objective refers to the valuable information or knowledge extracted from a large amount of data. The preset public database refers to those existing and publicly accessible data resources. The target data refers to the data that the female reproductive drug screening platform specifically focuses on and needs to collect during the drug screening and analysis process. The chemical information database refers to the database specifically used to store, retrieve, and manage chemical information. The molecular docking software refers to a computational tool used to predict the optimal binding mode between two or more molecules (usually proteins and small molecule ligands). The molecular docking module refers to the component in the female reproductive drug screening platform specifically used to perform molecular docking tasks.

[0036] Optionally, based on the construction objective, the platform function, and the service scope, the access interface of the to-be-constructed platform can be constructed through front-end development technologies.

[0037] Optionally, the data feature extraction algorithm of the to-be-constructed platform can be defined through statistical analysis and deep learning.

[0038] S2. Define the data parsing algorithm for the user port. Based on the data parsing algorithm, parse the reproductive medicine examination data and the reproductive needs into the physiological parameters of the target user. Based on the physiological parameters, use the data processing module to analyze the physiological state of the target female user, and map the physiological state to the relevant target proteins. Define the retrieval algorithm for the chemical information database. Based on the chemical information database, use the retrieval algorithm to retrieve the molecular data of the relevant target proteins. Define the task allocation algorithm for the molecular docking module. Based on the molecular data, use the task allocation algorithm to match the ligand molecules of the relevant target proteins.

[0039] In the embodiment of the present invention, by defining the data parsing algorithm for the user port, invalid or inaccurate data can be identified and eliminated, improving the overall quality of the data set. Key information can be quickly extracted from a large amount of data, improving the speed and efficiency of data processing. Among them, the data parsing algorithm refers to a set of specific programs or instruction sets, which are specifically used to process and analyze reproductive medicine examination data and reproductive needs information.

[0040] Optionally, as an embodiment of the present invention, the data parsing algorithm for the user port can be defined through data analysis techniques.

[0041] In the embodiment of the present invention, by parsing the reproductive medicine examination data and the reproductive needs into the physiological parameters of the target user based on the data parsing algorithm, potential reproductive health problems can be predicted by analyzing the trends of the physiological parameters, realizing early intervention. Among them, the physiological parameters refer to a series of quantitative indicators extracted from the reproductive medicine examination data and reproductive needs.

[0042] As an embodiment of the present invention, parsing the reproductive medicine examination data and the reproductive needs into the physiological parameters of the target user based on the data parsing algorithm includes:

[0043] Extract the experimental test data, menstrual cycle data, and imaging data of the reproductive medicine examination data;

[0044] According to the data parsing algorithm, perform quantitative analysis on the experimental test data and the reproductive needs to obtain hormone level parameters;

[0045] Extract the image features of the imaging data, analyze the image features to obtain reproductive organ parameters;

[0046] Perform periodic analysis on the menstrual cycle data to obtain the menstrual cycle length and menstrual regularity;

[0047] Determine the physiological parameters of the target user according to the hormone level parameters, the reproductive organ parameters, the menstrual cycle length, and the menstrual regularity.

[0048] Among them, the experimental test data refers to the biochemical and biological indicators related to reproductive health obtained through laboratory test methods. The menstrual cycle data refers to the information related to the female menstrual cycle. The imaging data refers to the image materials related to the reproductive system obtained through medical imaging techniques. The physiological characteristics refer to the directly observable characteristics related to the human reproductive system and reproductive health. The hormone level parameters refer to the hormone concentration indicators determined through laboratory tests and closely related to reproductive health and reproductive function. The image features refer to the specific attributes that can be quantified and analyzed in the image. The reproductive organ parameters refer to the specific quantitative indicators related to the structure and function of the reproductive organs. The menstrual cycle length refers to the number of days from the first day of one menstrual cycle to the first day of the next menstrual cycle. The menstrual regularity refers to the regularity and predictability of the female menstrual cycle.

[0049] Optionally, the quantitative analysis of the experimental test data according to the data analysis algorithm to obtain the hormone level parameters can be obtained through chemiluminescence immunoassay technology.

[0050] In the embodiment of the present invention, by based on the physiological parameters and using the data processing module to analyze the physiological state of the target female user, it can provide a more accurate judgment and health status assessment for the target female user, and predict potential health risks and state development. Among them, the physiological state refers to the comprehensive health condition of the female user at a specific time point.

[0051] Optionally, as an embodiment of the present invention, the analysis of the physiological state of the target female user based on the physiological parameters and using the data processing module can be obtained through time series analysis.

[0052] In the embodiment of the present invention, mapping the physiological state to the relevant target proteins can help to deeply understand the occurrence and development mechanism of the physiological state, and significantly improve the quality and efficiency of medical services. Among them, the relevant target proteins refer to a class of proteins that play a key role in the process of a specific physiological state.

[0053] As an embodiment of the present invention, the mapping of the physiological state to the relevant target proteins includes:

[0054] Analyze the abnormal factors of the physiological state and extract the abnormal related data of the abnormal factors;

[0055] Based on the anomaly-related data and the preset normal state data, perform differential expression analysis on the physiological state using the following formula to obtain a differential analysis result:

[0056]

[0057] Among them, C represents the differential analysis result, represents the mean value of the anomaly data of the anomaly-related data, represents the mean value of the normal data of the normal state data, represents the variance of the anomaly data of the anomaly-related data, represents the variance of the normal data of the normal state data, N 1 represents the number of groups of the anomaly data of the anomaly-related data, N 2 represents the number of groups of the normal data of the normal state data;

[0058] Determine the mapping pathway of the anomaly factor, and based on the differential analysis result, map the anomaly factor to the mapping pathway to obtain a mapped anomaly factor;

[0059] Based on the mapping pathway, the mapped anomaly factor, the anomaly factor, and the physiological state, perform functional enrichment analysis on the mapping pathway to obtain a functional enrichment probability:

[0060] Construct a protein-protein interaction network of the mapped anomaly factor, and based on the functional enrichment probability, use the protein-protein interaction network to analyze the abnormal expression protein positions and abnormal expression protein functions of the mapped anomaly factor;

[0061] According to the abnormal expression protein positions and the abnormal expression protein functions, determine the related target proteins of the mapped anomaly factor.

[0062] Among them, the abnormal factor refers to a biomolecule found in physiological state analysis that shows significant differences or abnormal changes compared with the normal state. The abnormal-related data refers to a data set directly related to the abnormal factor of the physiological state. The preset normal state data refers to data collected under a set of standard or reference conditions, representing the state of healthy or normal physiological functions. The differential analysis result refers to a summary of significant differences obtained by statistical methods or other analysis tools when comparing two or more biological data sets (usually data of normal and abnormal states). The mapped pathway refers to the process of associating differentially expressed genes or proteins with the biological processes, pathways, or functions they participate in. The mapped abnormal factor refers to those genes, proteins, or other biomolecules that show abnormal expression compared with the normal state identified through mapping analysis in bioinformatics analysis. The functional enrichment probability refers to the statistical significance of the occurrence of a specific biological function or pathway in a given gene list in bioinformatics analysis. The protein-protein interaction network refers to a complex interaction relationship diagram formed by physical contact or indirect interaction between different proteins. The abnormal expression protein location refers to the location where a specific protein shows different expression from the normal state in an abnormal physiological state or pathological state within a cell or an organism. The abnormal expression protein function refers to the biological function or biological effect exerted by a protein under abnormal expression conditions.

[0063] Optionally, the mapped pathway of the abnormal factor can be determined by methods of expression and RNA interference;

[0064] Optionally, the protein-protein interaction network of the mapped abnormal factor can be constructed by affinity purification mass spectrometry technology.

[0065] Optionally, the functional enrichment analysis of the mapped pathway is performed based on the mapped pathway, the mapped abnormal factor, the abnormal factor, and the physiological state to obtain the functional enrichment probability, including:

[0066] Determine the total number of pathway factors of the mapped pathway and analyze the total number of factors of the physiological state;

[0067] Identify the number of abnormal factors of the abnormal factor and determine the number of mapped abnormal factors of the mapped abnormal factor;

[0068] According to the total number of pathway factors, the total number of factors, the number of abnormal factors, and the number of mapped abnormal factors, use the following formula to calculate the functional enrichment probability of the mapped pathway:

[0069]

[0070] Among them, G represents the functional enrichment probability, P represents the number of pathway factors corresponding to the mapped pathway, u represents the number of mapped abnormal factors of the mapped abnormal factors, Q represents the total number of factors corresponding to the physiological state, and q represents the number of abnormal factors of the abnormal factors.

[0071] Among them, the total number of pathway factors is the number of all molecules (such as proteins, enzymes, transcription factors, small molecules, etc.) involved in a specific signal transduction pathway or biological metabolic pathway. The total number of factors refers to the number of all molecules (such as genes, proteins, metabolites, etc.) participating in or affecting under physiological conditions. The number of abnormal factors refers to the number of molecules (such as genes, proteins, metabolites, etc.) that show abnormal changes under specific conditions. The number of mapped abnormal factors refers to the number of abnormal factors determined after mapping the identified abnormal factors (such as genes, proteins, metabolites, etc.) to known biological pathways, networks, or functional modules.

[0072] In the embodiment of the present invention, by defining the retrieval algorithm of the chemical information database, chemical information matching the query conditions can be accurately identified and retrieved, reducing the situations of false detection and missed detection. Among them, the retrieval algorithm refers to a series of rules and calculation steps for searching and extracting specific chemical data in the chemical information database.

[0073] As an embodiment of the present invention, the defining the retrieval algorithm of the chemical information database includes:

[0074] Determine the initial search algorithm of the chemical information database, and analyze the objective function, search step size, and Hessian matrix of the initial search algorithm;

[0075] Determine the descent point and descent direction of the initial search algorithm, and based on the descent point, determine the number of searches of the initial search algorithm;

[0076] When the number of searches is greater than the search step size, the objective function will be iteratively updated to obtain an iterative objective function;

[0077] Calculate the search accuracy and convergence rate of the iterative objective function;

[0078] Construct a memory matrix of the iterative objective function, and map the search accuracy and the convergence rate to the memory matrix to obtain an accuracy memory matrix and a speed memory matrix;

[0079] According to the accuracy memory matrix and the speed memory matrix, use the following formula to update the Hessian matrix to obtain an updated Hessian matrix:

[0080]

[0081] Among them, S i+1 represents the updated Hessian matrix, Si represents the Hessian matrix of the i-th iteration, v i represents the velocity memory matrix of the i-th iteration, a i represents the precision memory matrix of the i-th iteration, the transpose matrix of the velocity of the i-th iteration velocity memory matrix, represents the precision transpose matrix of the i-th iteration precision memory matrix;

[0082] According to the updated Hessian matrix, update the descent direction to obtain an updated descent direction;

[0083] According to the updated descent direction, update the search times to obtain an updated search times;

[0084] When the updated search times is less than the search step size, use the iterative objective function as the updated objective function;

[0085] Based on the updated objective function and the updated Hessian matrix, update the initial search algorithm to obtain the retrieval algorithm of the chemical information database.

[0086] Among them, the initial search algorithm refers to the algorithm used for preliminary search in the retrieval of the chemical information database. The objective function refers to a mathematical function for calculating the similarity between the query compound and the compounds in the database. The search step size refers to the fixed search distance during the entire algorithm operation. The Hessian matrix refers to a square matrix composed of the second-order partial derivatives of a real-valued function. The descent point refers to the point where the value of the objective function decreases. The direction along which moving from the current point can make the value of the objective function decrease. The search times refers to the number of times the algorithm attempts to improve the current solution. The iterative objective function refers to the function optimized in each iterative step. The search precision refers to the degree of precision achieved in the process of finding the optimal solution or a solution that meets specific conditions. The convergence speed refers to the speed of finding a sufficiently good solution or reaching a certain predetermined precision. The memory matrix refers to a data structure for storing the information or patterns learned by the algorithm during iteration. The precision memory matrix refers to a matrix for storing the precision information achieved by the algorithm during iteration. The velocity memory matrix refers to a matrix for storing the information related to the convergence speed of the algorithm during iteration. The updated Hessian matrix refers to the matrix obtained by correcting or recalculating the Hessian matrix during iterative optimization. The updated descent direction refers to the updated descent direction. The updated search times refers to the updated search times. The updated objective function refers to the function obtained after iterative updating of the objective function.

[0087] Optionally, the objective function, search step size, and Hessian matrix of the initial search algorithm can be analyzed by means of optimization algorithm analysis.

[0088] Optionally, the search accuracy and convergence rate for calculating the iterative objective function can be calculated by the optimality condition and the method of superlinear convergence.

[0089] In the embodiment of the present invention, by using the retrieval algorithm to retrieve the molecular data of the relevant target proteins based on the chemical information database, it can be used for virtual screening and molecular docking, accelerating the discovery and screening process of lead compounds. Among them, the molecular data refers to various chemical and biological information data related to the target protein.

[0090] In the embodiment of the present invention, by defining the task allocation algorithm of the molecular docking module, it can ensure that each docking task can obtain sufficient computing resources, thereby improving the accuracy of molecular docking and enhancing the reliability of the screening results. Among them, the task allocation algorithm refers to an algorithm for allocating molecular docking tasks in a parallel computing environment.

[0091] As an embodiment of the present invention, the defining of the task allocation algorithm of the molecular docking module includes:

[0092] Obtain the computing tasks of the molecular docking module, analyze the task characteristics of the computing tasks, and determine the priorities of the computing tasks according to the task characteristics;

[0093] Determine the computing nodes of the computing tasks, and analyze the node resources of the computing nodes, where the node resources include node CPU, node memory, and node GPU;

[0094] Real-time monitor the resource utilization rate of the node resources, and construct a task allocation strategy for the computing tasks according to the resource utilization rate and the priorities;

[0095] According to the task allocation strategy, allocate the computing tasks to the computing nodes to obtain computing running nodes;

[0096] Check the load status of the computing running nodes, and construct a load feedback mechanism and a load adjustment mechanism for the computing running nodes based on the load status;

[0097] Determine the task allocation algorithm of the molecular docking module according to the task allocation strategy, the load feedback mechanism, and the load adjustment mechanism.

[0098] Among them, the computing task refers to the task that needs to be computationally processed in the molecular docking module. The task characteristics refer to the specific properties and features that the computing task has during execution, such as computational complexity, time sensitivity, resource requirements, etc. The priority refers to the order assigned to multiple tasks or requests according to specific criteria and rules when they need to be processed. The computing node refers to an independent computing unit responsible for executing computing tasks in a computing cluster or distributed computing environment. The node resources refer to the hardware and software resources available on the computing node. The node CPU refers to the central processing unit installed on a specific computing node. The node memory refers to the random access memory installed on the computing node. The node GPU refers to the graphics processing unit installed on the computing node. The resource utilization rate refers to the ratio of the actual usage of computing resources to the total capacity of resources within a certain period of time. The task allocation strategy refers to the rules and methods used to determine how to allocate computing tasks to different computing nodes in a computing cluster or distributed computing environment. The computing execution node refers to the node that executes computing tasks in a computing cluster or distributed computing system. The load status refers to the resource usage and workload level of the computing node when executing computing tasks. The load feedback mechanism refers to a systematic method for collecting, reporting, and processing the load information of the computing node when executing tasks. The load adjustment mechanism is a strategy and method used in a computing cluster or distributed system to dynamically adjust resource allocation and task execution according to the node load situation.

[0099] Optionally, determining the priority of the computing task according to the task characteristics can be determined by a heuristic algorithm.

[0100] Optionally, constructing the load feedback mechanism and load adjustment mechanism of the computing execution node based on the load status can be constructed by dynamic threshold setting and adaptive scheduling algorithms.

[0101] The embodiment of the present invention can process a large amount of molecular and target data, support diverse screening strategies, and significantly improve the efficiency of ligand molecule screening, shorten the screening cycle, and quickly identify potential ligand candidate molecules by using the task allocation algorithm to match the ligand molecules of the relevant target proteins based on the molecular data. Among them, the ligand molecule refers to a molecule that has been screened and optimized and is determined to be able to most effectively bind to a specific target (such as a receptor, enzyme, or other biomolecule) and trigger the required biological reaction.

[0102] S3. According to the physiological state, extract the target cells of the target female user, construct an in vitro culture environment for the target cells, based on the in vitro culture environment, perform in vitro culture on the target cells to obtain an in vitro cultured tissue, construct a physiological environment for the in vitro cultured tissue, and based on the physiological environment, add the ligand molecule to the in vitro cultured tissue to obtain a ligand test tissue.

[0103] In the embodiment of the present invention, by extracting the target cells of the target female user according to the physiological state, drug screening can be carried out using the cells of the target female user, and the effects and safety of drugs in vivo can be predicted more accurately. Among them, the target cells refer to cells with specific functions, characteristics or related to specific abnormal states.

[0104] Optionally, as an embodiment of the present invention, the extraction of the target cells of the target female user according to the physiological state can be obtained by cell separation technology.

[0105] In the embodiment of the present invention, constructing the in vitro culture environment for the target cells is beneficial to the survival of cells in vitro and lays a foundation for subsequent drug screening experiments. Among them, the in vitro culture environment refers to a system that simulates the conditions for cell growth and function execution in vivo.

[0106] As an embodiment of the present invention, the construction of the in vitro culture environment for the target cells includes:

[0107] Configure a sterile environment and a sterile culture medium for the target cells;

[0108] Analyze the in vivo environment of the target cells, and based on the in vivo environment, prepare the sterile culture medium to obtain a prepared culture medium;

[0109] Based on the sterile environment, inoculate the target cells into the prepared culture medium to obtain an inoculated culture medium;

[0110] Maintain the constant temperature and constant humidity of the inoculated culture medium;

[0111] Real-time monitor the growth state of the target cells, and based on the growth state, construct a replacement mechanism for the inoculated culture medium;

[0112] According to the sterile environment, the constant temperature, the constant humidity and the replacement mechanism, construct the in vitro culture environment for the target cells.

[0113] Among them, the aseptic environment refers to an environment without any living microorganisms. The aseptic culture medium refers to a nutrient substrate that has been specially treated to ensure that it does not contain any living microorganisms. The in-vivo environment refers to the physiological environment of target cells inside an organism. The formulated culture medium refers to a liquid culture medium prepared for cell growth and maintenance by adding necessary nutrients, growth factors, hormones, salts, buffers, and other additives to a basal medium according to the requirements of specific cell types. The inoculation culture medium refers to a culture medium for transferring cells to a medium containing necessary nutrients and growth factors. The constant temperature refers to a temperature that remains at a preset value with a very small fluctuation range within a certain period of time, usually 37°C. The constant humidity refers to a relative humidity that remains at a certain percentage value within a certain period of time and does not change significantly over time. The growth state refers to the specific condition of an organism in the growth and development stages of its life cycle. The replacement mechanism refers to a system or procedure for replacing the cell culture medium regularly or according to the needs of the cell growth state during cell culture.

[0114] Optionally, the aseptic environment and aseptic culture medium for configuring the target cells can be configured by aseptic techniques.

[0115] Optionally, based on the in-vivo environment, the aseptic culture medium is formulated to obtain a formulated culture medium, which can be formulated by bioinformatics analysis.

[0116] In an embodiment of the present invention, by culturing the target cells in vitro based on the in-vitro culture environment, an in-vitro cultured tissue is obtained, which can be cultured in vitro using the cells of the target female user herself, facilitating personalized drug testing. Among them, the in-vitro cultured tissue refers to a tissue-like structure with a certain structure and function formed by culturing cells in an in-vitro system that simulates the in-vivo environment.

[0117] In an embodiment of the present invention, by constructing the physiological environment of the in-vitro cultured tissue, an experimental model closer to the in-vivo situation can be provided, thereby improving the reliability of drug screening and toxicity testing. Among them, the physiological environment refers to the sum of a series of biochemical and physical conditions that simulate the normal survival and function execution of cells in an organism.

[0118] Optionally, as an embodiment of the present invention, the physiological environment of the in-vitro cultured tissue can be constructed by simulating the extracellular matrix.

[0119] Furthermore, in the embodiments of the present invention, by adding the ligand molecule to the in vitro cultured tissue based on the physiological environment, a ligand test tissue can be obtained for personalized drug testing of the ligand response of a specific target female user, improving the accuracy of drug screening. Among them, the ligand test tissue refers to a tissue model used for experimental research in which a specific ligand molecule is added to cultured cell or tissue samples in an in vitro culture system.

[0120] Optionally, as an embodiment of the present invention, the obtaining of the ligand test tissue by adding the ligand molecule to the in vitro cultured tissue based on the physiological environment can be achieved through tissue engineering techniques.

[0121] S4. Detect the cell viability, gene expression, and protein expression of the ligand test tissue. According to the cell viability, the gene expression, and the protein expression, analyze the promoting effect of the ligand molecule on the ligand test tissue, calculate the gain coefficient of the promoting effect, based on the gain coefficient, screen the optimal ligand molecule of the ligand molecule, and based on the optimal ligand molecule, determine the female reproductive drug for the target female user.

[0122] In the embodiments of the present invention, by detecting the cell viability, gene expression, and protein expression of the ligand test tissue, the direct effect of the ligand on cell growth and survival can be determined, and the cytotoxicity or growth-promoting effect of the ligand can be evaluated. Among them, the cell viability refers to the ability of a cell to maintain its physiological functions and survival ability. The gene expression refers to the process in which the information in a gene is transcribed into messenger RNA (mRNA) and then translated into a protein, or refers to the process in which gene information is transcribed into non-coding RNA (such as microRNA, rRNA, tRNA, etc.). The protein expression refers to the process in which gene information undergoes transcription and translation processes and finally produces a functional protein.

[0123] As an embodiment of the present invention, the detecting the cell viability, gene expression, and protein expression of the ligand test tissue includes:

[0124] Perform an MTT experiment on the ligand test tissue and the corresponding in vitro cultured tissue of the ligand test tissue to obtain a test experimental tissue and a control experimental tissue;

[0125] Configure the test experimental tissue and a blank experimental group;

[0126] Use a preset microplate reader to detect the absorbance of the test experimental tissue, the control experimental tissue, and the blank experimental group respectively to obtain the absorbance value of the experimental group, the absorbance value of the control group, and the absorbance value of the blank group;

[0127] Based on the absorbance values of the experimental group, the absorbance values of the control group, and the absorbance values of the blank group, calculate the cell viability of the ligand test tissue using the following formula:

[0128]

[0129] where α represents cell viability, X xp represents the absorbance value of the experimental group, X 0 represents the absorbance value of the blank group, and X p represents the absorbance value of the control group;

[0130] Extract the ligand tissue RNA of the ligand test tissue and transcribe the ligand tissue RNA into ligand tissue cDNA;

[0131] Prepare the qPCR reaction mixture for the ligand tissue cDNA, and mix the ligand tissue cDNA with the qPCR reaction mixture to obtain a ligand tissue mixture;

[0132] Detect the Ct value of the ligand tissue mixture, and calculate the gene expression of the ligand test tissue based on the Ct value;

[0133] Extract the total protein of the ligand test tissue, quantify the total protein to obtain a quantified protein;

[0134] Conduct a labeling experiment detection on the quantified protein to obtain a protein detection result, and analyze the protein expression of the ligand test tissue based on the detection result.

[0135] Among them, the MTT experiment refers to an experimental method for detecting cell proliferation and cell viability. The test experimental tissue refers to the tissue after experimental treatment of the ligand test tissue. The control experimental tissue refers to the tissue after experimental treatment of the in vitro cultured tissue. The blank experimental group refers to a control group without cells, and its purpose is to correct the background value in the experiment. The preset microplate reader refers to a laboratory instrument for detecting and analyzing biochemical experimental samples. The absorbance value of the experimental group refers to the absorbance value measured by the microplate reader for the test experimental tissue at a specific wavelength. The absorbance value of the control group refers to the absorbance value measured by the microplate reader for the control experimental tissue at a specific wavelength. The absorbance value of the blank group refers to the absorbance value measured by the microplate reader for the experimental well containing only the solvent used in the experiment (such as culture medium) and MTT but no cells at a specific wavelength. The ligand tissue RNA refers to the RNA extracted from the ligand test tissue. The ligand tissue cDNA refers to the complementary cDNA synthesized by reverse transcribing the ligand tissue RNA. The qPCR reaction mixture refers to the mixture for real-time quantitative polymerase chain reaction. The Ct value refers to the number of cycles required for the fluorescence signal to first reach a predetermined threshold in real-time quantitative polymerase chain reaction. The total protein refers to the collection of all proteins extracted from the ligand test tissue. The quantified protein refers to the protein after accurately measuring the protein content by a specific experimental method. The protein detection result refers to the data or information obtained after quantitative or qualitative analysis of the protein by an experimental method.

[0136] Optionally, the transcription of the ligand tissue RNA into ligand tissue cDNA can be carried out by using a transcriptase for transcription.

[0137] Optionally, the Ct value of the ligand tissue mixture can be detected by the method of real-time fluorescence quantitative PCR.

[0138] In the embodiment of the present invention, by analyzing the promoting effect of the ligand molecule on the ligand test tissue according to the cell viability, the gene expression, and the protein expression, it can be determined whether the ligand molecule can improve the cell survival rate or proliferation ability, thereby evaluating its potential effect of promoting cell growth. Among them, the promoting effect refers to the influence of the ligand molecule on the ligand test tissue.

[0139] Optionally, as an embodiment of the present invention, the analysis of the promoting effect of the ligand molecule on the ligand test tissue according to the cell viability, the gene expression, and the protein expression can be obtained by multi-omics joint analysis.

[0140] In the embodiments of the present invention, calculating the gain coefficient of the enhancement effect can help determine which ligand has a more significant enhancement effect. Among them, the gain coefficient is a parameter used to quantify the degree of influence of ligand molecules on test tissues.

[0141] Optionally, as an embodiment of the present invention, the gain coefficient of the enhancement effect can be calculated by means of molecular dynamics simulation.

[0142] In the embodiments of the present invention, by screening the optimal ligand molecules based on the gain coefficient, ligand molecules with high gain coefficients and low side effects can be selected, reducing the side effects that may occur during the drug efficacy process and improving the safety of drug use for target female users. Among them, the optimal ligand molecule refers to the ligand molecule that exhibits the best performance among a series of candidate ligand molecules through specific screening criteria and evaluation systems.

[0143] In the embodiments of the present invention, by determining the female reproductive drugs for the target female users based on the optimal ligand molecules, while ensuring safety and effectiveness, higher-quality drug options can be provided for female users.

[0144] In the embodiments of the present invention, by constructing a female reproductive drug screening platform for the target female users, more efficient, safe, and personalized services can be provided, thereby improving the overall level of female reproductive health; optionally, in the embodiments of the present invention, by parsing the reproductive examination data and reproductive needs into the physiological parameters of the target user based on the data parsing algorithm, potential reproductive health problems can be predicted by analyzing the trends of physiological parameters to achieve early intervention; in the embodiments of the present invention, mapping the physiological state to relevant target proteins can help deeply understand the occurrence and development mechanisms of the physiological state, significantly improving the quality and efficiency of medical services; in the embodiments of the present invention, by matching ligand molecules of the relevant target proteins based on the molecular data using the task assignment algorithm, a large amount of molecular and target data can be processed, supporting diverse screening strategies, and at the same time, the efficiency of ligand molecule screening can be significantly improved, shortening the screening cycle, and quickly identifying potential ligand candidate molecules; in the embodiments of the present invention, by adding the ligand molecules to in vitro cultured tissues based on the physiological environment to obtain ligand test tissues, personalized drug tests can be performed on the ligand reactions of specific target female users, improving the accuracy of drug screening. Finally, in the embodiments of the present invention, by determining the female reproductive drugs for the target female users based on the optimal ligand molecules, while ensuring safety and effectiveness, higher-quality drug options can be provided for female users. Therefore, the present invention can improve the efficiency and accuracy of screening female reproductive drugs in the reproductive department.

[0145] Such as Figure 2As shown, it is a functional module diagram of a female reproductive drug screening system provided by an embodiment of the present invention.

[0146] The female reproductive drug screening system 200 of the present invention can be installed in an electronic device. According to the functions achieved, the female reproductive drug screening system 200 may include a screening platform construction module 201, a ligand molecule screening module 202, a ligand testing module 203, and a drug screening module 204. The modules of the present invention may also be referred to as units, which refer to a series of computer program segments that can be executed by the processor of an electronic device and can complete fixed functions, and are stored in the memory of the electronic device.

[0147] In this embodiment, the functions of each module / unit are as follows:

[0148] The screening platform construction module 201 is used to obtain the reproductive examination data and reproductive needs of the target female user, and construct a female reproductive drug screening platform for the target female user. Among them, the female reproductive drug screening platform includes: a user port, a data processing module, a chemical information database, and a molecular docking module;

[0149] The ligand molecule screening module 202 is used to define the data parsing algorithm of the user port. Based on the data parsing algorithm, parse the reproductive examination data and the reproductive needs into the physiological parameters of the target user. Based on the physiological parameters, use the data processing module to analyze the physiological state of the target female user, and map the physiological state to the relevant target proteins. Define the retrieval algorithm of the chemical information database. Based on the chemical information database, use the retrieval algorithm to retrieve the molecular data of the relevant target proteins. Define the task allocation algorithm of the molecular docking module. Based on the molecular data, use the task allocation algorithm to match the ligand molecules of the relevant target proteins;

[0150] The ligand testing module 203 is used to extract the target cells of the target female user according to the physiological state, construct an in vitro culture environment for the target cells, perform in vitro culture on the target cells based on the in vitro culture environment to obtain an in vitro culture tissue, construct a physiological environment for the in vitro culture tissue, and add the ligand molecules to the in vitro culture tissue based on the physiological environment to obtain a ligand test tissue;

[0151] The drug screening module 204 is used to detect the cell activity, gene expression, and protein expression of the ligand test tissue, analyze the promoting effect of the ligand molecule on the ligand test tissue according to the cell activity, the gene expression, and the protein expression, calculate the gain coefficient of the promoting effect, screen the optimal ligand molecule of the ligand molecule based on the gain coefficient, and determine the female reproductive drug for the target female user based on the optimal ligand molecule.

[0152] Finally, it should be noted that the above embodiments are only used to illustrate the technical solutions of the present invention and not to limit them. Although the present invention has been described in detail with reference to the preferred embodiments, those of ordinary skill in the art should understand that the technical solutions of the present invention can be modified or equivalently replaced without departing from the spirit and scope of the technical solutions of the present invention.

Claims

1. A method for screening female reproductive drugs in reproductive medicine, characterized in that: The method comprises: Obtaining reproductive examination data and reproductive needs of target female users, and constructing a female reproductive drug screening platform for the target female users, wherein the female reproductive drug screening platform includes: a user port, a data processing module, a chemical information database, and a molecular docking module; Define a data parsing algorithm for the user port, parse the reproductive examination data and the reproductive needs into physiological parameters of the target user based on the data parsing algorithm, analyze the physiological state of the target female user based on the physiological parameters using the data processing module, and map the physiological state to the relevant target protein, define a retrieval algorithm for the chemical information database, retrieve the molecular data of the relevant target protein based on the chemical information database using the retrieval algorithm, define a task allocation algorithm for the molecular docking module, and match the ligand molecule of the relevant target protein based on the molecular data using the task allocation algorithm; According to the physiological state, the target cells of the target female user are extracted, an in vitro culture environment of the target cells is constructed, based on the in vitro culture environment, the target cells are cultured in vitro to obtain in vitro cultured tissues, a physiological environment of the in vitro cultured tissues is constructed, and based on the physiological environment, the ligand molecules are added to the in vitro cultured tissues to obtain ligand test tissues; Detect the cell activity, gene expression and protein expression of the ligand test tissue, analyze the enhancing effect of the ligand molecule on the ligand test tissue based on the cell activity, gene expression and protein expression, and calculate the gain coefficient of the enhancing effect, screen the optimal ligand molecule of the ligand molecule based on the gain coefficient, and determine the female reproductive drug for the target female user based on the optimal ligand molecule.

2. The method for screening female reproductive drugs according to claim 1, characterized in that: The construction of the female reproductive drug screening platform for the target female users comprises: Clarify the construction objectives, platform functions and service scope of the platform to be built corresponding to the target female users; Based on the construction target, the platform function and the service scope, construct an access interface of the platform to be constructed; The interface elements of the access interface are written, the interactive behaviors of the interface elements are defined, and the user port of the platform to be constructed is constructed according to the interface elements, the access interface and the interactive behaviors.

3. The method for screening female reproductive drugs according to claim 2, characterized in that: The construction of the female reproductive drug screening platform for the target female users comprises: Determine the data interface of the user port, and construct a data cleaning module for the data interface; Define a data feature extraction algorithm for the platform to be constructed, and construct a data analysis module for the data of the platform to be constructed according to the data interface, the data cleaning module and the data feature extraction algorithm; A database of the data of the platform to be constructed is constructed, and according to the construction target, a mining target required for the database is determined.

4. The method for screening female reproductive drugs according to claim 3, characterized in that: The construction of the female reproductive drug screening platform for the target female users comprises: Based on the mining target, mining target data of a preset public database, filling the target data into the database, and obtaining a chemical information database; Determining the molecular docking software of the chemical information database, and constructing the molecular docking module of the platform to be constructed according to the molecular docking software; A female reproductive drug screening platform for the target user is constructed based on the user port, the data processing module, the chemical information database and the molecular docking module.

5. The method for screening female reproductive drugs according to claim 1, characterized in that: The step of parsing the reproductive examination data and the reproductive needs into physiological parameters of the target user based on the data parsing algorithm includes: Extracting laboratory test data, menstrual cycle data and imaging data of the reproductive examination data; According to the data analysis algorithm, the experimental detection data and the reproductive needs are quantitatively analyzed to obtain hormone level parameters; Extracting image features of the image data, analyzing the image features, and obtaining reproductive organ parameters; Performing periodic analysis on the menstrual cycle data to obtain the menstrual cycle length and menstrual regularity; The physiological parameters of the target user are determined according to the hormone level parameters, the reproductive organ parameters, the menstrual cycle length and the menstrual regularity.

6. The method for screening female reproductive drugs according to claim 1, characterized in that: Mapping the physiological state to a relevant target protein comprises: Analyzing abnormal factors of the physiological state and extracting abnormality-related data of the abnormal factors; Based on the abnormality-related data and the preset normal state data, performing differential expression analysis on the physiological state to obtain a differential analysis result; A mapping path of the abnormal factor is determined, and according to the difference analysis result, the abnormal factor is mapped to the mapping path to obtain a mapped abnormal factor.

7. The method for screening female reproductive drugs according to claim 6, characterized in that: Mapping the physiological state to a relevant target protein comprises: Based on the mapping pathway, the mapping abnormal factor, the abnormal factor and the physiological state, a functional enrichment analysis is performed on the mapping pathway to obtain a functional enrichment probability: Constructing a protein-protein interaction network of the mapping abnormal factor, and analyzing the abnormally expressed protein position and the abnormally expressed protein function of the mapping abnormal factor by using the protein-protein interaction network based on the functional enrichment probability; According to the location of the abnormally expressed protein and the function of the abnormally expressed protein, the relevant target protein of the mapping abnormal factor is determined.

8. The method for screening female reproductive drugs according to claim 7, characterized in that: The step of performing functional enrichment analysis on the mapping pathway based on the mapping pathway, the mapping abnormal factor, the abnormal factor and the physiological state to obtain a functional enrichment probability includes: Determining the total number of pathway factors of the mapped pathway and analyzing the total number of factors of the physiological state; Identifying the number of abnormal factors of the abnormal factors, and determining the number of mapped abnormal factors of the mapped abnormal factors; The functional enrichment probability of the mapped pathway is calculated according to the total number of pathway factors, the total number of factors, the number of abnormal factors and the number of mapped abnormal factors.

9. The method for screening female reproductive drugs according to claim 1, characterized in that: The retrieval algorithm for defining the chemical information database includes: Determining an initial search algorithm for the chemical information database, and analyzing an objective function, a search step, and a Hessian matrix of the initial search algorithm; Determine a descent point and a descent direction of the initial search algorithm, and determine the number of searches of the initial search algorithm based on the descent point; When the number of searches is greater than the search step length, the objective function is iteratively updated to obtain an iterative objective function; Calculating the search accuracy and convergence speed of the iterative objective function; Constructing a memory matrix of the iterative objective function, mapping the search accuracy and the convergence speed to the memory matrix, and obtaining an accuracy memory matrix and a speed memory matrix; According to the precision memory matrix and the speed memory matrix, the Hessian matrix is ​​updated to obtain an updated Hessian matrix; According to the updated Hessian matrix, the descent direction is updated to obtain an updated descent direction; According to the update descending direction, the search times are updated to obtain an updated search times; When the update search times is less than the search step length, using the iterative objective function as the update objective function; Based on the updated objective function and the updated Hessian matrix, the initial search algorithm is updated to obtain a retrieval algorithm for the chemical information database.

10. A female reproductive drug screening system, characterized in that: The system is used to perform the method for screening female reproductive drugs in reproductive medicine according to any one of claims 1 to 9, comprising: A screening platform construction module is used to obtain reproductive examination data and reproductive needs of target female users, and to construct a female reproductive drug screening platform for the target female users, wherein the female reproductive drug screening platform includes: a user port, a data processing module, a chemical information database, and a molecular docking module; A ligand molecule screening module is used to define a data parsing algorithm for the user port, parse the reproductive examination data and the reproductive needs into physiological parameters of the target user based on the data parsing algorithm, analyze the physiological state of the target female user based on the physiological parameters using the data processing module, and map the physiological state to the relevant target protein, define a retrieval algorithm for the chemical information database, retrieve the molecular data of the relevant target protein based on the chemical information database using the retrieval algorithm, define a task allocation algorithm for the molecular docking module, and match the ligand molecules of the relevant target protein based on the molecular data using the task allocation algorithm; A ligand testing module, used to extract the target cells of the target female user according to the physiological state, construct an in vitro culture environment for the target cells, culture the target cells in vitro based on the in vitro culture environment to obtain in vitro cultured tissues, construct a physiological environment for the in vitro cultured tissues, and add the ligand molecules to the in vitro cultured tissues based on the physiological environment to obtain ligand testing tissues; The drug screening module is used to detect the cell activity, gene expression and protein expression of the ligand test tissue, analyze the enhancing effect of the ligand molecule on the ligand test tissue based on the cell activity, gene expression and protein expression, and calculate the gain coefficient of the enhancing effect, screen the optimal ligand molecule of the ligand molecule based on the gain coefficient, and determine the female reproductive drug for the target female user based on the optimal ligand molecule.

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