Compound Guanxin prescription quality evaluation method fusing spectrum-effect relationship and machine learning

Abstract

The invention relates to the technical field of pharmaceutical analysis, and discloses a compound Guanxin prescription quality evaluation method fusing spectrum-effect relationship and machine learning, and the method comprises the following steps: extracting chemical components of a compound Guanxin prescription, analyzing the component characteristics of the chemical components, and constructing a fingerprint spectrum of the chemical components; executing a pharmacodynamic experiment of the compound Guanxin prescription, defining a pharmacodynamic evaluation index of the compound Guanxin prescription, and analyzing a spectrum-effect relationship of the compound Guanxin prescription; analyzing a correlation mode of pharmacodynamic activity and related chemical components, and analyzing an action mechanism and potential side effects of the compound coronary heart prescription; identifying the medicine components of the compound coronary heart prescription, analyzing the synergistic effect of the medicine effects of the medicine components, and identifying the medicine combination effect of the compound coronary heart prescription; and in combination with the action mechanism, the potential side effect and the drug combination effect, evaluating the quality of the compound Guanxin prescription to obtain a quality evaluation result. According to the method, the comprehensiveness and accuracy of quality evaluation of the compound Guanxin prescription can be improved.

Description

Technical Field

[0001] The present invention relates to the technical field of drug analysis, and in particular to a quality evaluation method and system for Compound Guanxin Decoction integrating spectrum-effect relationship and machine learning. Background Art

[0002] The quality evaluation of Compound Coronary Heart Formula refers to the process of comprehensively evaluating and judging the quality of compound Chinese medicine preparations for the treatment of coronary heart disease. Through quality evaluation, the clinical efficacy and safety of Compound Coronary Heart Formula can be ensured. With the development of modern medicine, Compound Coronary Heart Formula has been widely used in the treatment of coronary heart disease. Because of its rapid onset, long-term efficacy and good prognosis, more and more patients with coronary heart disease choose to use Compound Coronary Heart Formula for treatment. Therefore, in order to ensure the safety of patients' medication, it is necessary to evaluate the quality of Compound Coronary Heart Formula.

[0003] Traditionally, the quality evaluation of Compound Guanxin Formula mainly adopts chemical evaluation method, which conducts qualitative and quantitative analysis on the effective ingredients or index ingredients in Compound Guanxin Formula. This method may focus more on the analysis of single or a few known active ingredients, such as danshensu, while ignoring the complex chemical composition and interactions in Compound Guanxin Formula, resulting in the lack of comprehensiveness and accuracy in the quality evaluation of Compound Guanxin Formula. Summary of the invention

[0004] In order to solve the above problems, the present invention provides a quality evaluation method and system for Compound Guanxin Formula that integrates spectrum-effect relationship and machine learning, which can improve the comprehensiveness and accuracy of the quality evaluation of Compound Guanxin Formula.

[0005] In a first aspect, the present invention provides a quality evaluation method for Fu Fang Guan Xin Fang that integrates spectrum-effect relationship and machine learning, comprising:

[0006] Obtaining the compound Guanxin prescription to be evaluated, extracting the chemical components of the compound Guanxin prescription, analyzing the component characteristics of the chemical components, and constructing a fingerprint of the chemical components based on the component characteristics;

[0007] Performing a pharmacodynamic experiment of the compound Guanxin prescription to obtain a pharmacodynamic experiment result, defining a pharmacodynamic evaluation index of the compound Guanxin prescription based on the pharmacodynamic experiment result, extracting key peaks of the fingerprint according to the pharmacodynamic evaluation index, and analyzing the spectrum-effect relationship of the compound Guanxin prescription based on the key peaks and the pharmacodynamic evaluation index;

[0008] Based on the spectrum-effect relationship, the pharmacodynamic activity of the compound Guanxin prescription is identified, and the relevant chemical components of the fingerprint spectrum are extracted, and the association pattern between the pharmacodynamic activity and the relevant chemical components is analyzed, and according to the association pattern, the mechanism of action and potential side effects of the compound Guanxin prescription are analyzed;

[0009] According to the mechanism of action and the potential side effects, the drug components of the compound Guanxin prescription are identified, the correlation coefficients between the drug components are calculated, the pharmacodynamic synergy of the drug components is analyzed based on the correlation coefficient, and the drug combination effect of the compound Guanxin prescription is identified according to the pharmacodynamic synergy;

[0010] In combination with the mechanism of action, the potential side effects and the drug combination effect, a quality assessment of the compound Guanxin prescription was performed to obtain a quality assessment result.

[0011] In a possible implementation of the first aspect, constructing the fingerprint of the chemical component based on the component characteristics includes:

[0012] Based on the component characteristics, setting the chromatographic conditions of the chemical components;

[0013] According to the chromatographic conditions, performing chromatographic analysis of the chemical components to obtain chromatographic analysis results;

[0014] Based on the chromatographic analysis results, generating a chromatographic diagram of the chemical components;

[0015] Extracting the chromatographic peaks of the chemical components from the chromatogram;

[0016] A fingerprint spectrum of the chemical components is constructed according to the chromatographic peaks.

[0017] In a possible implementation of the first aspect, defining the pharmacodynamic evaluation index of the Fufang Guanxin Formula based on the pharmacodynamic experimental results includes:

[0018] Based on the efficacy test results, identifying the disease symptoms and patients using the compound Guanxin prescription;

[0019] Analyze the improvement of the symptoms of the disease by the compound Guanxin prescription;

[0020] Identify the effects of the compound Guanxin prescription on the physiological indicators of the patient using the compound Guanxin prescription;

[0021] Extracting disease markers from the patient according to the disease symptoms;

[0022] Analyze the influence of the compound Guanxin prescription on the disease markers;

[0023] Based on the degree of impact, the improvement and the impact of the physiological indicators, the efficacy evaluation index of the compound Guanxin prescription is defined.

[0024] In a possible implementation of the first aspect, extracting key peaks of the fingerprint spectrum according to the drug efficacy evaluation index includes:

[0025] According to the drug efficacy evaluation index, identifying the associated drug corresponding to the fingerprint;

[0026] Extracting the associated chemical components of the associated drug and the fingerprint;

[0027] Identify the content and form of the related chemical components in the related drugs;

[0028] Analyzing the efficacy of the associated chemical components based on the content of the components and the existing forms;

[0029] Calculating the contribution ratio of the associated chemical components to the efficacy of the drug;

[0030] According to the contribution ratio, key peaks of the fingerprint spectrum are extracted.

[0031] In a possible implementation of the first aspect, analyzing the spectrum-effect relationship of the compound Guanxin prescription based on the key peaks and the drug efficacy evaluation index includes:

[0032] Based on the key peaks and the efficacy evaluation indexes, the fingerprint spectrum data and efficacy data of the compound Guanxin prescription are collected;

[0033] Extracting chemical composition characteristics of the fingerprint data;

[0034] Constructing a pharmacodynamic relationship model between the chemical component characteristics and the pharmacodynamic data;

[0035] Calculating the model fit of the drug-effect relationship model;

[0036] According to the model fitting degree, setting the relationship interpretation between the chemical component characteristics and the compound Guanxin prescription;

[0037] Combined with the drug-effect relationship model and the relationship interpretation, the spectrum-effect relationship of the compound Guanxin prescription is analyzed.

[0038] In a possible implementation of the first aspect, analyzing the association pattern between the pharmacodynamic activity and the related chemical components includes:

[0039] identifying the chemical composition of the relevant chemical components;

[0040] calculating the strength of association between the chemical composition and the pharmacodynamic activity;

[0041] Analyzing the impact pathways of the relevant chemical components on the pharmacodynamic activity according to the association strength;

[0042] Based on the chemical composition, identifying a dose-effect relationship between the relevant chemical constituents and the pharmacodynamic activity;

[0043] extracting the classification components of the relevant chemical components and analyzing the interactions between the classification components;

[0044] The association pattern between the pharmacodynamic activity and the related chemical components is analyzed in combination with the interaction, the dose-effect relationship and the impact pathway.

[0045] In a possible implementation of the first aspect, analyzing the mechanism of action of the Fufang Guanxin Prescription according to the association pattern includes:

[0046] Extracting the pharmacodynamic factors and chemical elements of the compound Guanxin prescription according to the association pattern;

[0047] Based on the pharmacodynamic factors, identifying patients in need of the compound Guanxin prescription and their corresponding in vivo targets;

[0048] Analyzing the relationship between the chemical element and the target in the body;

[0049] Identify the physiological regulatory effect of the pharmacodynamic factor on the patient in need;

[0050] Combined with the physiological regulation effect and the inter-relationship, the mechanism of action of the compound Guanxin prescription is analyzed.

[0051] In a possible implementation of the first aspect, analyzing the pharmacodynamic synergy of the drug components based on the correlation coefficient includes:

[0052] Collecting drug informatics data of the drug ingredients, and extracting characteristic data of the drug ingredients based on the drug informatics data;

[0053] Identifying data richness of the feature data, and identifying data quality of the feature data;

[0054] Based on the data richness and the data quality, constructing a relationship training model of the drug components using the feature data;

[0055] Analyzing the individual effects and synergistic effects of the active ingredients according to the relationship training model;

[0056] Based on the correlation coefficient, setting the combination of drug ingredients with the synergistic effect;

[0057] According to the combination of drug ingredients, identifying the accuracy of the result of the relationship training model;

[0058] The pharmacodynamic synergy of the drug components is analyzed by combining the result accuracy and the relationship training model.

[0059] In a possible implementation of the first aspect, identifying the drug combination effect of the Fufang Guanxin Formula according to the drug synergy includes:

[0060] Extracting the synergistic chemical components of the compound Guanxin prescription according to the synergistic effect of the medicine;

[0061] Analyzing the drug metabolism characteristics and action factors of the synergistic chemical components;

[0062] Identifying the disease type of the synergistic chemical composition and its corresponding disease severity;

[0063] Analyzing the adaptability of the disease type to the synergistic chemical component according to the severity of the disease;

[0064] The drug combination effect of the compound Guanxin prescription is identified by combining the drug metabolism characteristics, the action factors and the adaptation strength.

[0065] In a second aspect, the present invention provides a quality evaluation system for Fufang Guanxin Decoction integrating spectrum-effect relationship and machine learning, characterized in that the system comprises:

[0066] A fingerprint spectrum construction module is used to obtain the compound Guanxin prescription to be evaluated, extract the chemical components of the compound Guanxin prescription, analyze the component characteristics of the chemical components, and construct a fingerprint spectrum of the chemical components based on the component characteristics;

[0067] a spectrum-effect relationship identification module, for performing a pharmacodynamic experiment of the compound Guanxin prescription, obtaining a pharmacodynamic experiment result, defining a pharmacodynamic evaluation index of the compound Guanxin prescription based on the pharmacodynamic experiment result, extracting key peaks of the fingerprint spectrum according to the pharmacodynamic evaluation index, and analyzing the spectrum-effect relationship of the compound Guanxin prescription based on the key peaks and the pharmacodynamic evaluation index;

[0068] An action analysis module, for identifying the pharmacodynamic activity of the compound Guanxin prescription based on the spectrum-effect relationship, extracting the relevant chemical components of the fingerprint, analyzing the association pattern between the pharmacodynamic activity and the relevant chemical components, and analyzing the mechanism of action and potential side effects of the compound Guanxin prescription according to the association pattern;

[0069] a drug combination effect analysis module, for identifying the drug components of the compound Guanxin prescription according to the mechanism of action and the potential side effects, calculating the correlation coefficients between the drug components, analyzing the pharmacodynamic synergy of the drug components based on the correlation coefficients, and identifying the drug combination effect of the compound Guanxin prescription according to the pharmacodynamic synergy;

[0070] The quality assessment module is used to conduct a quality assessment on the compound Guanxin prescription in combination with the mechanism of action, the potential side effects and the drug combination effect to obtain a quality assessment result.

[0071] Compared with the prior art, the technical principle and beneficial effects of the above solution are:

[0072] The embodiment of the present invention constructs a fingerprint of the chemical components based on the component characteristics, so as to determine the effective components and their effects of the Compound Guanxin Formula and ensure the consistency and stability of product quality; further, the embodiment of the present invention defines the efficacy evaluation index of the Compound Guanxin Formula based on the efficacy experiment results, and can extract the key peaks of the fingerprint according to the efficacy evaluation index, identify the chemical components that have significantly contributed to the efficacy, and analyze the spectrum-effect relationship of the Compound Guanxin Formula based on the key peaks and the efficacy evaluation index, so as to ensure the quality stability and consistency of the drug, thereby improving the efficacy and safety of the drug; secondly, the embodiment of the present invention analyzes the association pattern of the pharmacodynamic activity and the related chemical components, and can analyze the mechanism of action and potential side effects of the Compound Guanxin Formula according to the association pattern, so as to more accurately predict the efficacy of the Compound Guanxin Formula in different patient groups or disease conditions, and help evaluate The safety and effectiveness of the compound Guanxin prescription; again, the embodiment of the present invention can identify the drug combination effect of the compound Guanxin prescription according to the drug synergy by analyzing the pharmacodynamic synergy of the drug components, which is helpful to predict the comprehensive efficacy of the drug in the body and help evaluate the potential risks of the drug, thereby providing an important basis for evaluating the quality of the drug, and discovering potential problems of drug combination in advance, so as to take corresponding measures to reduce risks and improve the safety and quality of the compound Guanxin prescription; finally, the embodiment of the present invention evaluates the quality of the compound Guanxin prescription by combining the mechanism of action, the potential side effects and the drug combination effect, and obtains a quality evaluation result, which can more accurately evaluate the therapeutic effect and risk of the compound Guanxin prescription, provide patients with more reliable treatment options, and also help to more deeply understand the characteristics and effects of the drug in the process of drug development, thereby optimizing the formulation and use of the drug, and improving the quality and efficacy of the drug. Therefore, the quality evaluation method of the compound Guanxin prescription that integrates spectrum-effect relationship and machine learning proposed in the present invention can improve the comprehensiveness and accuracy of the quality evaluation of the compound Guanxin prescription. BRIEF DESCRIPTION OF THE DRAWINGS

[0073] The accompanying drawings, which are incorporated in and constitute a part of this specification, illustrate embodiments consistent with the invention and, together with the description, serve to explain the principles of the invention.

[0074] In order to more clearly illustrate the embodiments of the present invention or the technical solutions in the prior art, the drawings required for use in the embodiments or the description of the prior art will be briefly introduced below. Obviously, for ordinary technicians in this field, other drawings can be obtained based on these drawings without paying any creative labor.

[0075] Figure 1 A flow chart of a method for evaluating the quality of Fufang Guanxin Decoction by integrating spectrum-effect relationship and machine learning provided in one embodiment of the present invention;

[0076] Figure 2 A schematic diagram of a module of a quality evaluation system for Compound Guanxin Prescription that integrates spectrum-effect relationship and machine learning provided in one embodiment of the present invention. DETAILED DESCRIPTION

[0077] 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.

[0078] The embodiment of the present invention provides a quality evaluation method of Compound Guanxin Formula that integrates spectrum-effect relationship and machine learning. The execution subject of the quality evaluation method of Compound Guanxin Formula that integrates spectrum-effect relationship and machine learning includes but is not limited to at least one of the electronic devices such as a server and a terminal that can be configured to execute the method provided by the embodiment of the present invention. In other words, the quality evaluation method of Compound Guanxin Formula that integrates spectrum-effect relationship and machine learning 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 it can be 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 distribution networks (Content Delivery Network, CDN), and big data and artificial intelligence platforms.

[0079] See also Figure 1 FIG. 1 is a flow chart of a method for evaluating the quality of Fufang Guanxin Decoction by integrating spectrum-effect relationship and machine learning provided by an embodiment of the present invention. Figure 1 A quality evaluation method for Fu Guanxin Fang described in the literature that integrates spectrum-effect relationship and machine learning includes:

[0080] S1. Obtain the compound Guanxin prescription to be evaluated, extract the chemical components of the compound Guanxin prescription, analyze the component characteristics of the chemical components, and construct a fingerprint of the chemical components based on the component characteristics.

[0081] The embodiment of the present invention can clarify the chemical components of the prescription by obtaining the compound coronary heart disease prescription to be evaluated, thereby providing a scientific basis for subsequent quality evaluation. The compound coronary heart disease prescription refers to a Chinese medicine compound preparation for treating coronary heart disease composed of multiple Chinese medicinal materials in a certain formula ratio.

[0082] Furthermore, the embodiment of the present invention can construct a fingerprint of the Compound Guanxin Formula by extracting the chemical components of the Compound Guanxin Formula and analyzing the component characteristics of the chemical components. The chemical components refer to all chemical substances contained in the compound medicine, including single compounds and multi-component mixtures, and the component characteristics refer to specific properties or characteristics of the chemical components, such as solubility.

[0083] Optionally, the extraction of chemical components of the compound Guanxin prescription can be achieved by ultrasonic extraction, and the component characteristics of the chemical components can be obtained by chemical analysis, such as acid-base titration.

[0084] The embodiment of the present invention constructs a fingerprint of the chemical components based on the component characteristics, so as to determine the effective components and their effects of the Compound Guanxin Formula and ensure the consistency and stability of product quality. The fingerprint refers to a graphic representation of the chemical components of the Compound Guanxin Formula obtained by a specific analytical instrument.

[0085] As an embodiment of the present invention, constructing the fingerprint of the chemical component based on the component characteristics includes: setting the chromatographic conditions of the chemical component based on the component characteristics; performing chromatographic analysis of the chemical component according to the chromatographic conditions to obtain chromatographic analysis results; generating a chromatographic diagram of the chemical component based on the chromatographic analysis results; extracting the chromatographic peaks of the chemical component from the chromatographic diagram; and constructing the fingerprint of the chemical component according to the chromatographic peaks.

[0086] Among them, the chromatographic conditions refer to a series of parameters used in the chromatographic analysis process, including the selection of mobile phase and stationary phase, column temperature, flow rate, detection wavelength, etc.; the chromatographic analysis refers to the process of separating and analyzing chemical components; the chromatographic analysis result refers to the chromatogram obtained in the chromatographic analysis process, including the shape, size, position, etc. of the chromatographic peak; the chromatographic diagram refers to a curve chart recording the signal intensity of the chemical components output by the detector as a function of time; and the chromatographic peak refers to the peak curve formed by the response signal of the chemical components as a function of time.

[0087] Optionally, according to the chromatographic conditions, the chromatographic analysis of the chemical components can be achieved using a chromatograph, based on the chromatographic analysis results, the chromatographic diagram of the chemical components can be generated by a recorder, and the chromatographic peak extraction of the chemical components can be achieved using mass spectrometry data analysis software, such as Analyst software.

[0088] S2. Execute the pharmacodynamic experiment of the Compound Guanxin Formula to obtain the pharmacodynamic experiment results, define the pharmacodynamic evaluation index of the Compound Guanxin Formula based on the pharmacodynamic experiment results, extract the key peaks of the fingerprint according to the pharmacodynamic evaluation index, and analyze the spectrum-effect relationship of the Compound Guanxin Formula based on the key peaks and the pharmacodynamic evaluation index.

[0089] The embodiment of the present invention obtains the efficacy experiment results by executing the efficacy experiment of the Compound Guanxin Formula, which is helpful to explore the efficacy evaluation index of the Compound Guanxin Formula. The efficacy experiment refers to an experiment on the drug effect of the Compound Guanxin Formula, and the efficacy experiment results refer to the data and conclusions obtained during the efficacy experiment, including the efficacy and toxicity of the drug.

[0090] Optionally, the efficacy experiment of the compound Guanxin prescription can be conducted through in vitro and in vivo experiments, such as conducting in vivo experiments on animal models to observe the therapeutic effect of the drug on animal diseases.

[0091] Furthermore, the embodiment of the present invention can analyze the relationship between the efficacy test results and the fingerprint spectrum by defining the efficacy evaluation index of the compound Guanxin prescription based on the efficacy test results. The efficacy evaluation index refers to a parameter used to measure the efficacy of a drug, such as the degree of impact of a disease.

[0092] As an embodiment of the present invention, defining the efficacy evaluation index of the compound crown heart prescription based on the efficacy experiment results includes: identifying the disease symptoms and patients using the compound crown heart prescription based on the efficacy experiment results; analyzing the improvement of the disease symptoms by the compound crown heart prescription; identifying the effect of the compound crown heart prescription on the physiological indicators of the patients; extracting the disease markers of the patients according to the disease symptoms; analyzing the degree of influence of the compound crown heart prescription on the disease markers; and defining the efficacy evaluation index of the compound crown heart prescription in combination with the degree of influence, the improvement and the influence on the physiological indicators.

[0093] Among them, the disease symptoms refer to various abnormal phenomena manifested by the disease in patients treated with Compound Coronary Heart Formula, such as pain, fever, cough, dyspnea, etc. The patients refer to the patient group treated with Compound Coronary Heart Formula. The improvement refers to the degree of reduction, alleviation or disappearance of the patient's disease symptoms after the use of Compound Coronary Heart Formula. The physiological indicator impact refers to the effect of Compound Coronary Heart Formula on indicators related to the patient's physiological functions, such as the effect on blood pressure. The disease marker refers to some detectable biological molecules or biological characteristics produced in the body during the occurrence and development of the disease, such as thickening of the blood vessel wall. The degree of impact refers to the effect of Compound Coronary Heart Formula on the disease marker.

[0094] Optionally, the analysis of the improvement of the disease symptoms by the compound coronary heart prescription can be achieved by using a quantitative evaluation method, such as a symptom scoring method, the identification of the effect of the compound coronary heart prescription on the physiological indicators of the patients can be achieved by using a physiological indicator detection instrument, such as a sphygmomanometer, the disease markers of the patients based on the disease symptoms can be extracted by laboratory detection methods, such as the detection of biological samples such as blood and urine, and the analysis of the degree of influence of the compound coronary heart prescription on the disease markers can be achieved by detecting the activity of the disease markers.

[0095] The embodiment of the present invention can identify the chemical components that significantly contribute to the efficacy by extracting the key peaks of the fingerprint according to the efficacy evaluation index. The key peaks refer to the chromatographic peaks of the key chemical components that can represent the efficacy of the Compound Guanxin Formula.

[0096] As an embodiment of the present invention, the extracting the key peaks of the fingerprint spectrum according to the drug efficacy evaluation index includes: identifying the associated drugs corresponding to the fingerprint spectrum according to the drug efficacy evaluation index; extracting the associated chemical components of the associated drugs and the fingerprint spectrum; identifying the component content and existence form of the associated chemical components in the associated drugs; analyzing the drug efficacy of the associated chemical components based on the component content and the existence form; calculating the contribution ratio of the associated chemical components to the drug efficacy; and extracting the key peaks of the fingerprint spectrum according to the contribution ratio.

[0097] Among them, the associated drug refers to a drug that has a certain correlation with the drug efficacy evaluation index and the fingerprint spectrum, the associated chemical component refers to the chemical component related to the fingerprint spectrum in the associated drug, the component content refers to the amount of the associated chemical component in the associated drug, the existence form refers to the specific existence form of the associated chemical component in the associated drug, such as free state, bound state, etc., the drug efficacy refers to the therapeutic effect or physiological effect produced by the associated chemical component in the body, and the contribution ratio refers to the proportion of the contribution of the associated chemical component to the drug efficacy.

[0098] Optionally, the extraction of the associated chemical components of the associated drug and the fingerprint can be determined by chromatography technology, the identification of the component content of the associated chemical components in the associated drug can be achieved by quantitative analysis, and the identification of the existence form of the associated chemical components in the associated drug can be obtained by chemical structure analysis method.

[0099] In an optional embodiment of the present invention, the contribution ratio of the associated chemical components to the drug efficacy is calculated using the following formula:

[0100]

[0101] Among them, K represents the contribution ratio of the related chemical components to the efficacy of the drug, and C i represents the content of the component corresponding to the i-th associated chemical component, M i represents the existence form corresponding to the i-th associated chemical component, G i represents the pharmacodynamic contribution weight of the i-th associated chemical component, n represents the number of chemical components in the associated chemical component, and i represents the index number of the associated chemical component.

[0102] Furthermore, the embodiment of the present invention can ensure the quality stability and consistency of the drug by analyzing the spectrum-effect relationship of the compound Guanxin prescription based on the key peaks and the efficacy evaluation indicators, thereby improving the efficacy and safety of the drug. The spectrum-effect relationship refers to the correlation between the chemical component fingerprint of the drug and the efficacy.

[0103] As an embodiment of the present invention, the analysis of the spectrum-effect relationship of the Compound Guanxin Formula based on the key peaks and the efficacy evaluation index includes: collecting fingerprint spectrum data and efficacy data of the Compound Guanxin Formula based on the key peaks and the efficacy evaluation index; extracting the chemical component characteristics of the fingerprint spectrum data; constructing a pharmacodynamic relationship model between the chemical component characteristics and the efficacy data; calculating the model fitting of the pharmacodynamic relationship model; setting the relationship interpretation between the chemical component characteristics and the Compound Guanxin Formula according to the model fitting; and analyzing the spectrum-effect relationship of the Compound Guanxin Formula in combination with the pharmacodynamic relationship model and the relationship interpretation.

[0104] Among them, the fingerprint data refers to the spectrum data of the chemical components of the drug obtained by chromatography technology, the efficacy data refers to the result data obtained in the efficacy experiment, the chemical component characteristics refer to the specific chromatographic peaks in the fingerprint that can characterize the chemical composition of traditional Chinese medicine, the pharmacodynamic relationship model refers to a mathematical model that associates the chemical component characteristics in the fingerprint with the efficacy data, the model fit refers to the degree of fit of the pharmacodynamic relationship model to the experimental data, and the relationship interpretation refers to the explanation of the relationship between the chemical component characteristics and the efficacy in the pharmacodynamic relationship model, including the contribution and mechanism of action of each component to the efficacy.

[0105] Optionally, the construction of the pharmacodynamic relationship model between the chemical component characteristics and the pharmacodynamic data can be implemented using a BP artificial neural network, and the interpretation setting of the relationship between the chemical component characteristics and the Fufang Guanxin Formula based on the model fit can be obtained through visual analysis.

[0106] In an optional embodiment of the present invention, the model fit of the drug-effect relationship model is calculated using the following formula:

[0107]

[0108] Among them, N represents the model fit of the drug-effect relationship model, m represents the number of test data in the drug-effect relationship model, and y j represents the true value of the jth test data in the drug-effect relationship model, Represents the predicted value of the jth test data in the drug-effect relationship model.

[0109] S3. Based on the spectrum-effect relationship, the pharmacodynamic activity of the compound Guanxin prescription is identified, and the relevant chemical components of the fingerprint are extracted, and the association pattern between the pharmacodynamic activity and the relevant chemical components is analyzed. According to the association pattern, the mechanism of action and potential side effects of the compound Guanxin prescription are analyzed.

[0110] The embodiment of the present invention identifies the pharmacodynamic activity of the Compound Guanxin Formula based on the spectrum-effect relationship and extracts the relevant chemical components of the fingerprint spectrum, so as to determine the main pharmacological effects of the Compound Guanxin Formula and clarify the specific chemical substances related to the pharmacological effects. The pharmacodynamic activity refers to the ability of the Compound Guanxin Formula to produce specific physiological or pharmacological effects in a living body, and the relevant chemical components refer to chemical substances in the Compound Guanxin Formula that have specific biological activities and can have a direct impact on the efficacy, such as artemisinin.

[0111] Optionally, based on the spectrum-effect relationship, the identification of the pharmacodynamic activity of the Compound Guanxin Formula can be determined by serum pharmacology, and based on the spectrum-effect relationship, the extraction of relevant chemical components of the fingerprint can be achieved by chromatographic separation.

[0112] Furthermore, the embodiments of the present invention can help identify potential side effects and toxic components by analyzing the association pattern between the pharmacodynamic activity and the related chemical components, so as to take measures to reduce risks during drug development and use. The association pattern refers to the pattern of connection and interaction between the pharmacodynamic activity and the related chemical components.

[0113] As an embodiment of the present invention, the analysis of the association pattern between the pharmacodynamic activity and the related chemical components includes: identifying the chemical composition of the related chemical components; calculating the association strength between the chemical composition and the pharmacodynamic activity; analyzing the influence pathway of the related chemical components on the pharmacodynamic activity based on the association strength; identifying the dose-effect relationship between the related chemical components and the pharmacodynamic activity based on the chemical composition; extracting the classification components of the related chemical components and analyzing the interaction between the classification components; and analyzing the association pattern between the pharmacodynamic activity and the related chemical components in combination with the interaction, the dose-effect relationship and the influence pathway.

[0114] Among them, the chemical composition refers to the types and proportions of chemical elements, compounds or molecules in the relevant chemical components, the association strength refers to the degree of correlation between chemical composition and pharmacodynamic activity, the influencing pathway refers to the mechanism by which the relevant chemical components affect pharmacodynamic activity, the dose-effect relationship refers to the influence of different doses of chemical components on pharmacodynamic activity, the classified components refer to the classified chemical components obtained according to characteristics such as chemical structure and pharmacological action, and the interaction refers to the synergistic, antagonistic or other interactions between the classified components.

[0115] Optionally, according to the association strength, the analysis of the impact pathway of the relevant chemical components on the pharmacodynamic activity can be determined through a biological pathway, the classification component extraction of the relevant chemical components can be achieved using an inductive matrix filling method, and the interaction analysis between the classification components can be determined by the Pearson correlation coefficient.

[0116] The embodiment of the present invention can more accurately predict the efficacy of the Compound Guanxin Formula in different patient groups or disease conditions by analyzing the mechanism of action and potential side effects of the Compound Guanxin Formula according to the association pattern, and help evaluate the safety and effectiveness of the Compound Guanxin Formula. The mechanism of action refers to the specific way and process by which the Compound Guanxin Formula exerts its therapeutic effect in the body, and the potential side effects refer to the adverse effects on the body that may be produced by the Compound Guanxin Formula during use, such as allergic reactions.

[0117] Optionally, according to the association pattern, the potential side effect analysis of the Compound Guanxin Formula can be determined by the patient's physiological response, such as allergic reaction, digestive system symptoms, etc.

[0118] As an embodiment of the present invention, analyzing the mechanism of action of the compound crown heart prescription according to the association pattern includes: extracting the pharmacodynamic factors and chemical elements of the compound crown heart prescription according to the association pattern; identifying the patients in need of the compound crown heart prescription and their corresponding targets in the body based on the pharmacodynamic factors; analyzing the relationship between the chemical elements and the targets in the body; identifying the physiological regulatory effects of the pharmacodynamic factors on the patients in need; and analyzing the mechanism of action of the compound crown heart prescription in combination with the physiological regulatory effects and the relationship.

[0119] Among them, the pharmacodynamic factor refers to the active chemical component in the Compound Guanxin Formula that can produce specific pharmacodynamics, the chemical element refers to the various chemical components that constitute the Compound Guanxin Formula, the patients in need refer to the patient group suitable for treatment with the Compound Guanxin Formula, the in vivo target refers to the molecules or biological structures in the patient's body that can bind to the drug and produce specific biological effects, such as proteins, enzymes, nucleic acids, etc., the interrelationship refers to the interaction and connection between chemical elements and in vivo targets, and the physiological regulation effect refers to the regulation and influence of the pharmacodynamic factor on the physiological functions of the patient's body in need.

[0120] Optionally, the identification of patients in need of the Compound Guanxin Formula and their corresponding in vivo targets based on the pharmacodynamic factors can be achieved using magnetic resonance imaging, the analysis of the relationship between the chemical elements and the in vivo targets can be obtained through molecular docking software, such as Autodock Vina software, and the identification of the physiological regulatory effects of the pharmacodynamic factors on the patients in need can be achieved using cell experiments, such as conducting experiments on cells cultured in vitro to study the effects of drugs on cell physiological functions.

[0121] S4. According to the mechanism of action and the potential side effects, identify the drug components of the compound Guanxin prescription, calculate the correlation coefficients between the drug components, analyze the pharmacodynamic synergy of the drug components based on the correlation coefficients, and identify the drug combination effect of the compound Guanxin prescription based on the pharmacodynamic synergy.

[0122] The embodiment of the present invention can identify the drug ingredients of the compound Guanxin prescription according to the mechanism of action and the potential side effects, and can identify the drug ingredients that may cause side effects so as to take corresponding improvement measures. The drug ingredients refer to the various chemical components contained in the compound Guanxin prescription.

[0123] Optionally, the identification of drug components of the Compound Guanxin Formula based on the mechanism of action and the potential side effects can be achieved using high performance liquid chromatography.

[0124] Furthermore, the embodiment of the present invention can identify the synergistic effect between the drug components by calculating the correlation coefficient between the drug components. The correlation coefficient refers to the use of statistical methods to quantify the strength and direction of the relationship between two or more drug components.

[0125] Optionally, the calculation of the correlation coefficient between the drug components can be achieved using the Spearman rank correlation coefficient formula.

[0126] The embodiment of the present invention analyzes the pharmacodynamic synergy of the drug ingredients based on the correlation coefficient, which helps to predict the comprehensive therapeutic effect of the drug in the body and helps to evaluate the potential risks of the drug, thereby providing an important basis for evaluating the quality of the drug. The pharmacodynamic synergy refers to the therapeutic effect of two or more drug ingredients when used in combination.

[0127] As an embodiment of the present invention, the analysis of the pharmacodynamic synergistic effect of the drug ingredients based on the correlation coefficient includes: collecting the drug informatics data of the drug ingredients, and extracting the characteristic data of the drug ingredients based on the drug informatics data; identifying the data richness of the characteristic data, and identifying the data quality of the characteristic data; based on the data richness and the data quality, using the characteristic data to construct a relationship training model of the drug ingredients; based on the relationship training model, analyzing the individual effects and synergistic effects of the pharmacodynamic ingredients; based on the correlation coefficient, setting the drug ingredient combination of the synergistic effect; based on the drug ingredient combination, identifying the result accuracy of the relationship training model; combining the result accuracy with the relationship training model to analyze the pharmacodynamic synergistic effect of the drug ingredients.

[0128] Among them, the drug informatics data refers to information such as the chemical structure, biological activity data, drug-target interaction data of drug ingredients, the characteristic data refers to data used to describe the characteristics of drug ingredients, such as molecular fingerprints, molecular descriptors, etc., the data richness refers to the amount of information contained in the characteristic data, the data quality refers to the reliability of the data, including accuracy, consistency, completeness, etc., the relationship training model refers to a statistical or machine learning model constructed using characteristic data for analyzing the relationship between drug ingredients, the individual effect refers to the effect of a drug ingredient on a biological system alone, the synergistic effect refers to the phenomenon that when two or more drug ingredients are used in combination, their effect is greater than the sum of their individual effects, the drug ingredient combination refers to a combination of drug ingredients with potential synergistic effects, and the result accuracy refers to the accuracy of the relationship training model in predicting the synergistic effect.

[0129] Optionally, the pharmacoinformatics data collection of the drug ingredients can be obtained through laboratory data, the accuracy of the result of the relationship training model based on the drug ingredient combination can be verified by in vitro experiments, the data richness of the feature data can be obtained by data coverage, and the data quality of the feature data can be achieved by calculating the proportion of non-null values.

[0130] Furthermore, the embodiments of the present invention can more comprehensively evaluate the therapeutic effect of the compound crown heart prescription and discover potential problems of drug combination in advance by identifying the drug combination effect of the compound crown heart prescription based on the synergistic effect of the drug effects, so as to take corresponding measures to reduce risks and improve the safety and quality of the compound crown heart prescription. The drug combination effect refers to the possible interaction between two or more drugs in the body when they are used simultaneously or successively, such as enhancing the therapeutic effect.

[0131] As an embodiment of the present invention, identifying the drug combination effect of the compound Guanxin prescription based on the synergistic effect of the pharmacodynamics includes: extracting the synergistic chemical components of the compound Guanxin prescription based on the synergistic effect of the pharmacodynamics; analyzing the drug metabolism characteristics and action factors of the synergistic chemical components; identifying the disease type of the synergistic chemical components and the corresponding disease severity; analyzing the adaptability of the disease type to the synergistic chemical components based on the disease severity; and identifying the drug combination effect of the compound Guanxin prescription in combination with the drug metabolism characteristics, the action factors and the adaptability.

[0132] Among them, the synergistic chemical components refer to the fact that the efficacy of two or more chemical components in the compound coronary heart prescription is greater than that of each chemical component acting alone, the drug metabolism characteristics refer to the characteristics of drug absorption, distribution, metabolism and excretion in the body, the action factors refer to the specific ways in which the compound coronary heart prescription exerts its therapeutic effect in the body, the disease types refer to the specific diseases or symptoms targeted by the compound coronary heart prescription, such as cardiovascular disease, coronary heart disease, etc., and the adaptation intensity refers to the intensity of the therapeutic effect of the drug components on specific disease types.

[0133] Optionally, the drug metabolism characteristic analysis of the synergistic chemical components can be obtained through pharmacokinetic experiments, and the identification of the disease type of the synergistic chemical components and their corresponding disease severity can be achieved using a drug database, such as the DrugBank database, and the analysis of the adaptability of the disease type to the synergistic chemical components based on the severity of the disease can be determined through the drug instructions.

[0134] S5. Based on the mechanism of action, the potential side effects and the drug combination effect, a quality assessment is performed on the compound Guanxin prescription to obtain a quality assessment result.

[0135] The embodiment of the present invention conducts a quality assessment on the compound Guanxin prescription by combining the mechanism of action, the potential side effects and the drug combination effect to obtain a quality assessment result, which can more accurately assess the therapeutic effect and risk of the compound Guanxin prescription, provide patients with more reliable treatment options, and also help to more deeply understand the characteristics and effects of the drug during the drug research and development process, thereby optimizing the formulation and use of the drug and improving the quality and efficacy of the drug. The quality assessment result refers to the conclusion drawn after a comprehensive assessment of the compound Guanxin prescription in terms of the mechanism of action, potential side effects and drug combination effect.

[0136] It can be seen that the embodiment of the present invention can determine the effective ingredients and their effects of the Compound Guanxin Formula by constructing the fingerprint of the chemical components based on the component characteristics, thereby ensuring the consistency and stability of product quality; further, the embodiment of the present invention can define the efficacy evaluation index of the Compound Guanxin Formula based on the efficacy experiment results, and can extract the key peaks of the fingerprint according to the efficacy evaluation index, identify the chemical components that have significantly contributed to the efficacy, and analyze the spectrum-effect relationship of the Compound Guanxin Formula based on the key peaks and the efficacy evaluation index, thereby ensuring the quality stability and consistency of the drug, thereby improving the efficacy and safety of the drug; secondly, the embodiment of the present invention can analyze the mechanism of action and potential side effects of the Compound Guanxin Formula according to the association pattern by analyzing the association pattern of the pharmacodynamic activity and the related chemical components, so as to more accurately predict the efficacy of the Compound Guanxin Formula in different patient groups or disease conditions, and help The invention can help evaluate the safety and effectiveness of the compound Guanxin prescription; again, by analyzing the pharmacodynamic synergy of the drug components, the embodiment of the present invention can identify the drug combination effect of the compound Guanxin prescription according to the pharmacodynamic synergy, which is helpful to predict the comprehensive efficacy of the drug in the body, and help evaluate the potential risks of the drug, thereby providing an important basis for evaluating the quality of the drug, and discovering potential problems of drug combination in advance, so as to take corresponding measures to reduce risks and improve the safety and quality of the compound Guanxin prescription; finally, the embodiment of the present invention evaluates the quality of the compound Guanxin prescription by combining the mechanism of action, the potential side effects and the drug combination effect, and obtains a quality evaluation result, which can more accurately evaluate the therapeutic effect and risk of the compound Guanxin prescription, provide patients with more reliable treatment options, and also help to more deeply understand the characteristics and effects of the drug in the process of drug development, thereby optimizing the formulation and use of the drug, and improving the quality and efficacy of the drug. Therefore, the quality evaluation method of the compound Guanxin prescription that integrates spectrum-effect relationship and machine learning proposed in the present invention can improve the comprehensiveness and accuracy of the quality evaluation of the compound Guanxin prescription.

[0137] like Figure 2 Shown is a system functional module diagram for quality evaluation of Compound Guanxin Formula integrating spectrum-effect relationship and machine learning according to the present invention.

[0138] The quality evaluation system 200 of the compound Guanxin prescription integrating spectrum-effect relationship and machine learning described in the present invention can be installed in an electronic device. According to the functions implemented, the quality evaluation system of the compound Guanxin prescription integrating spectrum-effect relationship and machine learning can include a fingerprint spectrum construction module 201, a spectrum-effect relationship recognition module 202, an action analysis module 203, a drug combination effect analysis module 204, and a quality assessment module 205. The module described in the present invention can also be called a unit, which refers to a series of computer program segments that can be executed by an electronic device processor and can complete fixed functions, which are stored in the memory of the electronic device.

[0139] In the embodiment of the present invention, the functions of each module / unit are as follows:

[0140] The fingerprint spectrum construction module 201 is used to obtain the compound Guanxin prescription to be evaluated, extract the chemical components of the compound Guanxin prescription, analyze the component characteristics of the chemical components, and construct the fingerprint spectrum of the chemical components based on the component characteristics;

[0141] The spectrum-effect relationship identification module 202 is used to perform the efficacy experiment of the compound Guanxin prescription, obtain the efficacy experiment results, define the efficacy evaluation index of the compound Guanxin prescription based on the efficacy experiment results, extract the key peaks of the fingerprint spectrum according to the efficacy evaluation index, and analyze the spectrum-effect relationship of the compound Guanxin prescription based on the key peaks and the efficacy evaluation index;

[0142] The action analysis module 203 is used to identify the pharmacodynamic activity of the compound Guanxin prescription based on the spectrum-effect relationship, extract the relevant chemical components of the fingerprint, analyze the association pattern between the pharmacodynamic activity and the relevant chemical components, and analyze the mechanism of action and potential side effects of the compound Guanxin prescription according to the association pattern;

[0143] The drug combination effect analysis module 204 is used to identify the drug components of the compound Guanxin prescription according to the mechanism of action and the potential side effects, calculate the correlation coefficients between the drug components, analyze the pharmacodynamic synergy of the drug components based on the correlation coefficients, and identify the drug combination effect of the compound Guanxin prescription according to the pharmacodynamic synergy;

[0144] The quality assessment module 205 is used to conduct a quality assessment on the Fufang Guanxin Formula in combination with the mechanism of action, the potential side effects and the drug combination effect to obtain a quality assessment result.

[0145] In detail, the modules in the quality evaluation system 200 for the compound Guanxin prescription integrating spectrum-effect relationship and machine learning in the embodiment of the present invention are used in the same manner as described above. Figure 1The same technical means as described in the method for evaluating the quality of compound Guanxin prescription that integrates spectrum-effect relationship and machine learning can produce the same technical effect, so I will not go into details here.

[0146] In addition, each functional module in each embodiment of the present invention may be integrated into one processing unit, each unit may exist physically separately, or two or more units may be integrated into one unit. The above-mentioned integrated unit may be implemented in the form of hardware or in the form of hardware plus software functional modules.

[0147] The above description is only a specific embodiment of the present invention, so that those skilled in the art can understand or implement the present invention. Various modifications to these embodiments will be apparent to those skilled in the art, and the general principles defined herein may be implemented in other embodiments without departing from the spirit or scope of the present invention. Therefore, the present invention will not be limited to the embodiments shown herein, but should conform to the widest scope consistent with the principles and novel features invented herein.

Claims

1. A quality evaluation method for Fufang Guanxin Decoction integrating spectrum-effect relationship and machine learning, characterized in that: The method comprises: Obtaining the compound Guanxin prescription to be evaluated, extracting the chemical components of the compound Guanxin prescription, analyzing the component characteristics of the chemical components, and constructing a fingerprint of the chemical components based on the component characteristics; Performing a pharmacodynamic experiment of the compound Guanxin prescription to obtain a pharmacodynamic experiment result, defining a pharmacodynamic evaluation index of the compound Guanxin prescription based on the pharmacodynamic experiment result, extracting key peaks of the fingerprint according to the pharmacodynamic evaluation index, and analyzing the spectrum-effect relationship of the compound Guanxin prescription based on the key peaks and the pharmacodynamic evaluation index; Based on the spectrum-effect relationship, the pharmacodynamic activity of the compound Guanxin prescription is identified, and the relevant chemical components of the fingerprint spectrum are extracted, and the association pattern between the pharmacodynamic activity and the relevant chemical components is analyzed, and according to the association pattern, the mechanism of action and potential side effects of the compound Guanxin prescription are analyzed; According to the mechanism of action and the potential side effects, the drug components of the compound Guanxin prescription are identified, the correlation coefficients between the drug components are calculated, the pharmacodynamic synergy of the drug components is analyzed based on the correlation coefficient, and the drug combination effect of the compound Guanxin prescription is identified according to the pharmacodynamic synergy; In combination with the mechanism of action, the potential side effects and the drug combination effect, a quality assessment of the compound Guanxin prescription was performed to obtain a quality assessment result.

2. The method according to claim 1, characterized in that The step of constructing the fingerprint of the chemical composition based on the composition characteristics comprises: Based on the component characteristics, setting the chromatographic conditions of the chemical components; According to the chromatographic conditions, performing chromatographic analysis of the chemical components to obtain chromatographic analysis results; Based on the chromatographic analysis results, generating a chromatographic diagram of the chemical components; Extracting the chromatographic peaks of the chemical components from the chromatogram; A fingerprint spectrum of the chemical components is constructed according to the chromatographic peaks.

3. The method according to claim 1, characterized in that The drug efficacy evaluation index of the compound Guanxin prescription is defined based on the drug efficacy experiment results, including: Based on the efficacy test results, identifying the disease symptoms and patients using the compound Guanxin prescription; Analyze the improvement of the symptoms of the disease by the compound Guanxin prescription; Identify the effects of the compound Guanxin prescription on the physiological indicators of the patient using the compound Guanxin prescription; Extracting disease markers from the patient according to the disease symptoms; Analyze the influence of the compound Guanxin prescription on the disease markers; Based on the degree of impact, the improvement and the impact of the physiological indicators, the efficacy evaluation index of the compound Guanxin prescription is defined.

4. The method according to claim 1, characterized in that: The step of extracting key peaks of the fingerprint spectrum according to the drug efficacy evaluation index comprises: According to the drug efficacy evaluation index, identifying the associated drug corresponding to the fingerprint; Extracting the associated chemical components of the associated drug and the fingerprint; Identify the content and form of the related chemical components in the related drugs; Analyzing the efficacy of the associated chemical components based on the content of the components and the existing forms; Calculating the contribution ratio of the associated chemical components to the efficacy of the drug; According to the contribution ratio, key peaks of the fingerprint spectrum are extracted.

5. The method according to claim 1, characterized in that The analyzing the spectrum-effect relationship of the compound Guanxin prescription based on the key peaks and the efficacy evaluation indexes includes: Based on the key peaks and the efficacy evaluation indexes, the fingerprint spectrum data and efficacy data of the compound Guanxin prescription are collected; Extracting chemical composition characteristics of the fingerprint data; Constructing a pharmacodynamic relationship model between the chemical component characteristics and the pharmacodynamic data; Calculating the model fit of the drug-effect relationship model; According to the model fitting degree, setting the relationship interpretation between the chemical component characteristics and the compound Guanxin prescription; Combined with the drug-effect relationship model and the relationship interpretation, the spectrum-effect relationship of the compound Guanxin prescription is analyzed.

6. The method according to claim 1, characterized in that The analyzing the association pattern between the pharmacodynamic activity and the related chemical components comprises: identifying the chemical composition of the relevant chemical components; calculating the strength of association between the chemical composition and the pharmacodynamic activity; Analyzing the impact pathways of the relevant chemical components on the pharmacodynamic activity according to the association strength; Based on the chemical composition, identifying a dose-effect relationship between the relevant chemical constituents and the pharmacodynamic activity; extracting the classification components of the relevant chemical components and analyzing the interactions between the classification components; The association pattern between the pharmacodynamic activity and the related chemical components is analyzed in combination with the interaction, the dose-effect relationship and the impact pathway.

7. The method according to claim 1, characterized in that The analysis of the mechanism of action of the compound Guanxin prescription according to the association pattern includes: Extracting the pharmacodynamic factors and chemical elements of the compound Guanxin prescription according to the association pattern; Based on the pharmacodynamic factors, identifying patients in need of the compound Guanxin prescription and their corresponding in vivo targets; Analyzing the relationship between the chemical element and the target in the body; Identify the physiological regulatory effect of the pharmacodynamic factor on the patient in need; Combined with the physiological regulation effect and the inter-relationship, the mechanism of action of the compound Guanxin prescription is analyzed.

8. The method according to claim 1, characterized in that The step of analyzing the pharmacodynamic synergy of the drug components based on the correlation coefficient comprises: Collecting drug informatics data of the drug ingredients, and extracting characteristic data of the drug ingredients based on the drug informatics data; Identifying data richness of the feature data, and identifying data quality of the feature data; Based on the data richness and the data quality, constructing a relationship training model of the drug components using the feature data; Analyzing the individual effects and synergistic effects of the active ingredients according to the relationship training model; Based on the correlation coefficient, setting the combination of drug ingredients with the synergistic effect; According to the combination of drug ingredients, identifying the accuracy of the result of the relationship training model; The pharmacodynamic synergy of the drug components is analyzed by combining the result accuracy and the relationship training model.

9. The method according to claim 1, characterized in that: The method of identifying the drug combination effect of the compound Guanxin prescription according to the drug efficacy synergy includes: Extracting the synergistic chemical components of the compound Guanxin prescription according to the synergistic effect of the medicine; Analyzing the drug metabolism characteristics and action factors of the synergistic chemical components; Identifying the disease type of the synergistic chemical composition and its corresponding disease severity; Analyzing the adaptability of the disease type to the synergistic chemical component according to the severity of the disease; The drug combination effect of the compound Guanxin prescription is identified by combining the drug metabolism characteristics, the action factors and the adaptation strength.

10. A quality evaluation system for Fufang Guanxin Decoction integrating spectrum-effect relationship and machine learning, characterized in that: The system comprises: A fingerprint spectrum construction module is used to obtain the compound Guanxin prescription to be evaluated, extract the chemical components of the compound Guanxin prescription, analyze the component characteristics of the chemical components, and construct a fingerprint spectrum of the chemical components based on the component characteristics; a spectrum-effect relationship identification module, for performing a pharmacodynamic experiment of the compound Guanxin prescription, obtaining a pharmacodynamic experiment result, defining a pharmacodynamic evaluation index of the compound Guanxin prescription based on the pharmacodynamic experiment result, extracting key peaks of the fingerprint spectrum according to the pharmacodynamic evaluation index, and analyzing the spectrum-effect relationship of the compound Guanxin prescription based on the key peaks and the pharmacodynamic evaluation index; An action analysis module, for identifying the pharmacodynamic activity of the compound Guanxin prescription based on the spectrum-effect relationship, extracting the relevant chemical components of the fingerprint, analyzing the association pattern between the pharmacodynamic activity and the relevant chemical components, and analyzing the mechanism of action and potential side effects of the compound Guanxin prescription according to the association pattern; a drug combination effect analysis module, for identifying the drug components of the compound Guanxin prescription according to the mechanism of action and the potential side effects, calculating the correlation coefficients between the drug components, analyzing the pharmacodynamic synergy of the drug components based on the correlation coefficients, and identifying the drug combination effect of the compound Guanxin prescription according to the pharmacodynamic synergy; The quality assessment module is used to conduct a quality assessment on the compound Guanxin prescription in combination with the mechanism of action, the potential side effects and the drug combination effect to obtain a quality assessment result.

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