An intelligent detection method and system for drug ingredients and drug quality

Abstract

The present application discloses an intelligent detection method for drug components and drug quality, and the present application belongs to the field of artificial intelligence. The method includes: obtaining a drug sample solution and a control drug solution, and injecting the drug sample solution and the control drug solution into a high performance liquid chromatography analysis system; determining whether it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system; determining the operating parameter adjustment information, and continuously updating the operating parameters of the high performance liquid chromatography analysis system until a complete drug sample chromatogram and a complete control drug chromatogram are obtained; determining the drug component information and impurity component information of the sample drug; determining whether the sample drug meets the preset drug quality evaluation standard according to the drug component information and the impurity component information. If the preset drug quality evaluation standard is met, the sample drug passes the quality inspection. This solution can reduce the manual operation time and human error, improve the detection efficiency and accuracy, and make the analysis results more accurate and stable.

Description

Technical Field

[0001] This application relates to the field of artificial intelligence technology, and particularly to an intelligent detection method and system for drug ingredients and drug quality. Background Art

[0002] As an important tool for treating diseases and alleviating pain, the quality and safety of drugs are directly related to the life and health of patients. Therefore, strict detection of drug ingredients and quality is a key link to ensure the safety and effectiveness of drugs and maintain public health.

[0003] Currently, chemical analysis methods are used to detect drug ingredients and quality. By manually operating chemical reactions, the content of each ingredient in the drug is determined. For example, acid-base titration is used to directly determine the amount of active ingredients or impurities, and the drug quality is determined according to the set drug quality standards.

[0004] However, for some complex drug samples, manual detection may be difficult to achieve the required detection accuracy and sensitivity, and it takes longer to complete the same task, resulting in low detection efficiency. Summary of the Invention

[0005] An embodiment of this application provides an intelligent detection method for drug ingredients and drug quality, which solves the problem that in the prior art, for some complex drug samples, it may be difficult for manual detection of drug ingredients and drug quality to achieve the required detection accuracy and sensitivity, and it takes longer to complete the same task, resulting in low detection efficiency.

[0006] In a first aspect, an embodiment of this application provides an intelligent detection method for drug ingredients and drug quality, the method comprising:

[0007] Obtain a drug sample solution and a control drug solution, and inject the drug sample solution and the control drug solution into a high-performance liquid chromatography analysis system for the high-performance liquid chromatography analysis of the drug sample solution and the control drug solution by the high-performance liquid chromatography analysis system according to initial operating parameters;

[0008] Continuously obtain the control drug chromatogram output by the high-performance liquid chromatography analysis system, and continuously input the control drug chromatogram into a preset parameter optimization model to determine whether it is necessary to adjust the operating parameters of the high-performance liquid chromatography analysis system;

[0009] If it is necessary to adjust the operating parameters of the high-performance liquid chromatography analysis system, continuously determine the operating parameter adjustment information through the preset parameter optimization model, and continuously update the operating parameters of the high-performance liquid chromatography analysis system according to the operating parameter adjustment information until a complete drug sample chromatogram and a complete control drug chromatogram are obtained;

[0010] Determine the drug component information of the sample drug based on the complete chromatogram of the drug sample and the complete chromatogram of the reference drug;

[0011] Perform mass spectrometry analysis on the complete chromatogram of the drug sample to determine the impurity component information of the sample drug;

[0012] Determine whether the sample drug meets the preset drug quality evaluation criteria based on the drug component information and the impurity component information. If the sample drug meets the preset drug quality evaluation criteria, it is determined that the sample drug passes the quality inspection.

[0013] Further, continuously input the chromatogram of the reference drug into the preset parameter optimization model to determine whether the operating parameters of the high-performance liquid chromatography analysis system need to be adjusted, including:

[0014] Continuously input the chromatogram of the reference drug into the preset parameter optimization model to obtain the first retention time, the first height, and the first area of each chromatographic peak of the chromatogram of the reference drug;

[0015] Obtain the preset chromatogram of the reference drug through the preset parameter optimization model, and determine the second retention time, the second height, and the second area of each chromatographic peak of the preset chromatogram of the reference drug;

[0016] Calculate the first retention time difference between the first retention time and the second retention time of the corresponding chromatographic peaks in the chromatogram of the reference drug and the preset chromatogram of the reference drug, the first height difference between the first height and the second height, and the first area difference between the first area and the second area through the preset parameter optimization model;

[0017] Determine whether the operating parameters of the high-performance liquid chromatography analysis system need to be adjusted through the preset parameter optimization model according to the first retention time difference, the first height difference, the first area difference, the preset retention time difference threshold, the preset height difference threshold, and the preset area difference threshold.

[0018] Further, if the operating parameters of the high-performance liquid chromatography analysis system need to be adjusted, continuously determine the operating parameter adjustment information through the preset parameter optimization model:

[0019] If the operating parameters of the high-performance liquid chromatography analysis system need to be adjusted, determine the target adjustment parameter and the parameter adjustment range of the target adjustment parameter through the preset parameter optimization model according to the first retention time difference, the first height difference, the first area difference, the preset retention time difference threshold, the preset height difference threshold, and the preset area difference threshold;

[0020] Determine the operating parameter adjustment information according to the target adjustment parameter and the parameter adjustment range.

[0021] Further, determine the drug component information of the sample drug based on the complete chromatogram of the drug sample and the complete chromatogram of the control drug, including:

[0022] Determine the third retention time, third height, and third area of each chromatographic peak in the complete chromatogram of the drug sample;

[0023] Determine the fourth retention time, fourth height, and fourth area of each chromatographic peak in the complete chromatogram of the control drug;

[0024] Calculate the second retention time difference between the third retention time and the fourth retention time of the corresponding chromatographic peaks in the complete chromatogram of the drug sample and the complete chromatogram of the control drug. According to the second retention time difference and the preset retention time difference range, classify each chromatographic peak in the complete chromatogram of the drug sample into a drug peak, an impurity peak, and an internal standard peak; among them, the number of drug peaks, impurity peaks, and internal standard peaks is at least one;

[0025] Determine the drug components of the sample drug according to the drug peaks and the preset chromatogram of the control drug; among them, the type of drug components is at least one;

[0026] Calculate the height ratio of the third height of the drug peak to the third height of the corresponding internal standard peak, and calculate the area ratio of the third area of the drug peak to the third area of the corresponding internal standard peak;

[0027] Obtain the drug component curves of each drug component corresponding to each drug peak and the internal standard concentration of the experimental internal standard, and determine the drug content of each drug component according to the drug component curves, the height ratio, the internal standard concentration, and the area ratio;

[0028] Determine the drug component information of the sample drug according to the drug components and the drug content.

[0029] Further, perform mass spectrometry analysis on the complete chromatogram of the drug sample to determine the impurity component information of the sample drug, including:

[0030] Perform mass spectrometry analysis on the impurity peak to obtain the first mass spectrum of the impurity peak;

[0031] Determine the molecular structure and relative molecular mass of the impurity according to the mass spectrum and the preset mass spectrometry database;

[0032] Prepare at least two impurity standard solutions according to the molecular structure and relative molecular mass, and perform mass spectrometry analysis on each impurity standard solution to obtain the second mass spectrum of each impurity standard solution;

[0033] Determine the target impurity standard solution according to the first mass spectrum and the second mass spectrum, and use the concentration information of the target impurity standard solution as the impurity concentration information;

[0034] Determine the impurity component information of the sample drug according to the molecular structure, relative molecular mass, and impurity concentration information.

[0035] Further, determine the target impurity standard solution according to the first mass spectrum and the second mass spectrum, including:

[0036] Obtain the first mass spectrum peak areas of the respective mass spectrum peaks of the first mass spectrum, and obtain the second mass spectrum peak areas of the respective mass spectrum peaks of the second mass spectrum;

[0037] Calculate the mass spectrum peak area ratios of the first mass spectrum peak areas of the respective mass spectrum peaks of the first mass spectrum to the second mass spectrum peak areas of the respective mass spectrum peaks of the second mass spectrum;

[0038] Take the second mass spectrum peaks whose mass spectrum peak area ratios are within a preset mass spectrum peak area ratio range as target mass spectrum peaks, and take the impurity standard solution corresponding to the target mass spectrum peaks as the target impurity standard solution.

[0039] Further, after determining whether the sample drug meets the preset drug quality evaluation standard according to the drug component information and the impurity component information, the method further includes:

[0040] If the sample drug does not meet the preset drug quality evaluation standard, determine that the sample drug fails the quality inspection and send a quality inspection failure message to the control center.

[0041] Further, the training process of the preset parameter optimization model includes:

[0042] Obtain the historical adjustment records of the high-performance liquid chromatography analysis system, and determine the historical adjustment parameters and historical parameter adjustment ranges for adjusting the historical control drug chromatogram to the historical preset control drug chromatogram according to the historical adjustment records;

[0043] Determine the first historical retention times, first historical heights, and first historical areas of the respective chromatogram peaks before the historical control drug chromatogram is adjusted, and determine the second historical retention times, second historical heights, and second historical areas of the respective chromatogram peaks of the historical preset control drug chromatogram;

[0044] Calculate the historical retention time differences between the first historical retention times and the second historical retention times, the historical height differences between the first historical heights and the second historical heights, and the historical area differences between the first historical areas and the second historical areas;

[0045] Create a data set according to the historical adjustment parameters, historical parameter adjustment ranges, first historical retention times, first historical heights, first historical areas, second historical retention times, second historical heights, second historical areas, historical retention time differences, historical height differences, and historical area differences;

[0046] Construct a parameter optimization model, and train the parameter optimization model according to the dataset until the parameter optimization model reaches a preset model training standard.

[0047] Further, after training the parameter optimization model according to the dataset until the parameter optimization model reaches a preset model training standard, the method further includes:

[0048] Realtime identify whether a preset model update duration is reached. After reaching the preset model update duration, re-obtain the historical adjustment records of the high performance liquid chromatography analysis system, and re-determine the historical adjustment parameters and historical parameter adjustment ranges for adjusting the historical control drug chromatogram to the historical preset control drug chromatogram according to the historical adjustment records;

[0049] Re-determine the first historical retention time, first historical height, and first historical area of each chromatographic peak before the historical control drug chromatogram is adjusted, and determine the second historical retention time, second historical height, and second historical area of each chromatographic peak of the historical preset control drug chromatogram;

[0050] Re-calculate the historical retention time difference between the first historical retention time and the second historical retention time, the historical height difference between the first historical height and the second historical height, and the historical area difference between the first historical area and the second historical area;

[0051] Re-create a dataset according to the historical adjustment parameters, historical parameter adjustment ranges, first historical retention time, first historical height, first historical area, second historical retention time, second historical height, second historical area, historical retention time difference, historical height difference, and historical area difference;

[0052] Re-train the parameter optimization model according to the dataset until the parameter optimization model reaches a preset model training standard.

[0053] According to a second aspect of the present application, there is provided an intelligent detection system for drug ingredients and drug quality, the system includes:

[0054] A drug solution injection module, configured to obtain a drug sample solution and a control drug solution, and inject the drug sample solution and the control drug solution into a high performance liquid chromatography analysis system for the high performance liquid chromatography analysis of the drug sample solution and the control drug solution by the high performance liquid chromatography analysis system according to initial operating parameters;

[0055] A chromatogram analysis module, configured to continuously obtain the control drug chromatogram output by the high performance liquid chromatography analysis system, continuously input the control drug chromatogram into a preset parameter optimization model, and determine whether it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system;

[0056] An operating parameter adjustment module, configured to continuously determine operating parameter adjustment information through a preset parameter optimization model if it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system, and continuously update the operating parameters of the high performance liquid chromatography analysis system according to the operating parameter adjustment information until a complete chromatogram of the drug sample and a complete chromatogram of the control drug are obtained;

[0057] A drug component information determination module, configured to determine the drug component information of the sample drug according to the complete chromatogram of the drug sample and the complete chromatogram of the control drug;

[0058] An impurity component information determination module, configured to perform mass spectrometry analysis on the complete chromatogram of the drug sample to determine the impurity component information of the sample drug;

[0059] A drug quality evaluation module, configured to determine whether the sample drug meets a preset drug quality evaluation standard according to the drug component information and the impurity component information, and if the sample drug meets the preset drug quality evaluation standard, determine that the sample drug passes the quality inspection.

[0060] In an embodiment of the present application, a drug sample solution and a control drug solution are obtained, and the drug sample solution and the control drug solution are injected into a high performance liquid chromatography analysis system for the high performance liquid chromatography analysis of the drug sample solution and the control drug solution by the high performance liquid chromatography analysis system according to initial operating parameters; continuously obtain the chromatogram of the control drug output by the high performance liquid chromatography analysis system, continuously input the chromatogram of the control drug into a preset parameter optimization model to determine whether it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system; if it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system, continuously determine operating parameter adjustment information through a preset parameter optimization model, and continuously update the operating parameters of the high performance liquid chromatography analysis system according to the operating parameter adjustment information until a complete chromatogram of the drug sample and a complete chromatogram of the control drug are obtained; determine the drug component information of the sample drug according to the complete chromatogram of the drug sample and the complete chromatogram of the control drug; perform mass spectrometry analysis on the complete chromatogram of the drug sample to determine the impurity component information of the sample drug; determine whether the sample drug meets a preset drug quality evaluation standard according to the drug component information and the impurity component information, and if the sample drug meets the preset drug quality evaluation standard, determine that the sample drug passes the quality inspection. Through the above intelligent detection method for drug components and drug quality, through the automated operations of the high performance liquid chromatography analysis system and the parameter optimization model, the manual operation time and human errors can be reduced, and the detection efficiency and accuracy can be improved. By comparing the chromatogram of the control drug with a preset chromatogram and continuously optimizing the operating parameters, the analysis results can be made more accurate and stable. Description of the Drawings

[0061] Figure 1 It is a schematic flowchart of the intelligent detection method for drug ingredients and drug quality provided in the first embodiment of the present application;

[0062] Figure 2 It is a schematic flowchart of the intelligent detection method for drug ingredients and drug quality provided in the second embodiment of the present application;

[0063] Figure 3 It is a schematic flowchart of the intelligent detection method for drug ingredients and drug quality provided in the third embodiment of the present application;

[0064] Figure 4 It is a schematic structural diagram of the intelligent detection system for drug ingredients and drug quality provided in the fourth embodiment of the present application; Detailed implementation manners

[0065] In order to make the objectives, technical solutions and advantages of the present application clearer, the following further describes the specific embodiments of the present application in detail with reference to the accompanying drawings. It can be understood that the specific embodiments described herein are only for explaining the present application, rather than limiting the present application. Additionally, it should be noted that for the sake of description, only parts related to the present application are shown in the drawings rather than all of the content. Before discussing the exemplary embodiments in more detail, it should be mentioned that some exemplary embodiments are described as processes or methods depicted as flowcharts. Although the flowcharts describe the operations (or steps) as sequential processes, many of the operations can be implemented in parallel, concurrently or simultaneously. In addition, the order of the operations can be rearranged. When the operations are completed, the process can be terminated, but there can also be additional steps not included in the drawings. The process can correspond to a method, function, procedure, subroutine, subprogram, etc.

[0066] The following will clearly describe the technical solutions in the embodiments of the present application with reference to the accompanying drawings in the embodiments of the present application. Obviously, the described embodiments are part of the embodiments of the present application, rather than all of the embodiments. Based on the embodiments in the present application, all other embodiments obtained by those of ordinary skill in the art belong to the scope of protection of the present application.

[0067] The terms "first", "second", etc. in the description and claims of this application are used to distinguish similar objects, rather than to describe a specific order or sequence. It should be understood that the data used in this way can be interchanged under appropriate circumstances, so that the embodiments of this application can be implemented in an order other than those illustrated or described herein, and the objects distinguished by "first", "second", etc. are generally of the same category, and the number of objects is not limited. For example, the first object can be one or multiple. In addition, "and / or" in the description and claims means at least one of the connected objects, and the character " / ", generally represents an "or" relationship between the associated objects before and after.

[0068] The following will combine the accompanying drawings and, through specific embodiments and their application scenarios, provide a detailed description of the intelligent detection method for drug ingredients and drug quality provided by the embodiments of this application.

[0069] Embodiment 1

[0070] Figure 1 is a schematic flow chart of the intelligent detection method for drug ingredients and drug quality provided by Embodiment 1 of this application. As Figure 1 shown, it specifically includes the following steps:

[0071] S101, Obtain a drug sample solution and a control drug solution, and inject the drug sample solution and the control drug solution into a high-performance liquid chromatography analysis system for the high-performance liquid chromatography analysis of the drug sample solution and the control drug solution by the high-performance liquid chromatography analysis system according to the initial operating parameters.

[0072] First, the application scenario of this solution can be to perform high-performance liquid chromatography analysis on a drug sample solution and a control drug solution, and continuously adjust the operating parameters of the high-performance liquid chromatography analysis system until a complete drug sample chromatogram and a complete control drug chromatogram are obtained, and determine the drug ingredient information and impurity ingredient information based on the complete drug sample chromatogram and the complete control drug chromatogram, and determine whether the sample drug passes the quality detection scenario.

[0073] Based on the above application scenario, it can be understood that the execution subject of this application can be an intelligent detection system for drug ingredients and drug quality, and no excessive limitation is made here.

[0074] The drug sample solution can be a solution obtained by dissolving a drug sample to be tested in a suitable solvent, which can be injected into a high-performance liquid chromatography system for analysis.

[0075] The control drug solution can be a standard drug solution with known ingredients and concentrations, which is used to compare with the drug sample solution to help determine the content and purity of the ingredients in the sample.

[0076] A high performance liquid chromatography (HPLC) analysis system can be an instrument used for separating, identifying, and quantitatively analyzing the components in a mixture. Specifically, it can include a pump that provides high-pressure solvent flow, an injector that injects the sample solution into the chromatography system, a chromatographic column filled with a stationary phase for separating different components in the sample, a detector that detects the components passing through the chromatographic column, and a data processing system that records and analyzes the signals output by the detector to generate a chromatogram.

[0077] An automated sample preparation workstation can be used to dissolve pharmaceutical samples in a suitable solvent. The automated system can handle multiple samples, prepare standard solutions and control solutions, and perform filtration and transfer to sample vials. A sample management system is used to record detailed information about each sample, such as the sample number, concentration, solvent, and preparation time, etc., and arrange the samples in an orderly manner on the autosampler. The autosampler injects the samples into the HPLC analysis system in a predetermined order, and the injection volume for each injection can be preset to ensure consistency and accuracy. Initial operating parameters, such as flow rate, gradient program, and column temperature, etc., can be preset and input into the control software of the HPLC analysis system. The control software starts and monitors the entire analysis process of the HPLC analysis system, including solvent pumping, sample injection, chromatographic column separation, and detector data acquisition. The detector continuously monitors the effluent from the chromatographic column to generate a chromatogram, and the data acquisition system records the chromatogram data in real time, including retention time, peak height, and peak area.

[0078] S102: Continuously obtain the chromatogram of the reference drug output by the HPLC analysis system, continuously input the chromatogram of the reference drug into a preset parameter optimization model, and determine whether it is necessary to adjust the operating parameters of the HPLC analysis system.

[0079] The chromatogram of the reference drug can be obtained by analyzing the reference drug, i.e., a standard drug with known composition and properties, using the HPLC system. This chromatogram shows the separation of the reference drug on the chromatographic column, including the retention time, peak height, and peak area of each component. The chromatogram of the reference drug is used as a standard to help identify and quantify the components in the sample drug.

[0080] The preset parameter optimization model can be a mathematical model based on algorithms and historical data, used to determine the optimal operating parameters of the HPLC analysis system. The model uses the input chromatogram data of the reference drug to evaluate the effect of the current operating parameters and decides whether adjustments are needed to optimize the separation effect.

[0081] The operating parameters can be the settings that control the operation of the HPLC analysis system. Specifically, they can include the flow rate, which is the speed at which the mobile phase passes through the chromatographic column; the gradient program, which is the program for the change in the composition of the mobile phase over time; the column temperature, which is the temperature of the chromatographic column; the injection volume, which is the volume of the sample injected into the system; and the detection wavelength, which is the wavelength used by the detector to measure the peaks.

[0082] The high-performance liquid chromatography analysis system runs continuously to analyze the reference drug. The detector can collect chromatographic data in real time to generate a chromatogram of the reference drug. The data processing software extracts the data of the chromatogram of the reference drug, specifically, it can include retention time, peak height, and peak area, and inputs them into the parameter optimization model. The parameter optimization model can receive the data of the chromatogram of the reference drug and compare it with the historical preset chromatogram of the reference drug. Calculate the differences in key parameters, specifically, it can be the retention time difference, peak height difference, and peak area difference. According to the preset thresholds, specifically, it can include the retention time difference threshold, height difference threshold, and area difference threshold, evaluate whether the operating parameters of the current high-performance liquid chromatography analysis system need to be adjusted.

[0083] Based on the above technical solution, optionally, the training process of the preset parameter optimization model includes:

[0084] Obtain the historical adjustment records of the high-performance liquid chromatography analysis system, and determine the historical adjustment parameters and historical parameter adjustment ranges for adjusting the historical chromatogram of the reference drug to the historical preset chromatogram of the reference drug according to the historical adjustment records;

[0085] Determine the first historical retention time, first historical height, and first historical area of each chromatographic peak before the adjustment of the historical chromatogram of the reference drug, and determine the second historical retention time, second historical height, and second historical area of each chromatographic peak of the historical preset chromatogram of the reference drug;

[0086] Calculate the historical retention time difference between the first historical retention time and the second historical retention time, the historical height difference between the first historical height and the second historical height, and the historical area difference between the first historical area and the second historical area;

[0087] Create a data set according to the historical adjustment parameters, historical parameter adjustment ranges, first historical retention time, first historical height, first historical area, second historical retention time, second historical height, second historical area, historical retention time difference, historical height difference, and historical area difference;

[0088] Construct a parameter optimization model, and train the parameter optimization model according to the data set until the parameter optimization model reaches the preset model training standard.

[0089] In this solution, the historical adjustment record can be the record of the past adjustment parameters of the high-performance liquid chromatography analysis system, including the specific time, content, and reason of the parameter adjustment, etc.

[0090] The historical chromatogram of the reference drug can be the chromatogram of the standard drug recorded in the past, serving as the reference chart for historical comparison.

[0091] The historical preset reference drug chromatogram can be an ideal reference drug chromatogram preset in the past, used to evaluate the adjustment effect.

[0092] The historical adjustment parameters can be those parameters specifically adjusted for the high-performance liquid chromatography analysis system in the historical adjustment records, such as flow rate and temperature, etc.

[0093] The historical parameter adjustment range can be the adjustment range of each parameter in history, for example, the flow rate is adjusted from 1.0 ml / min to 1.2 ml / min.

[0094] The first historical retention time, the first historical height, and the first historical area can be the retention time, peak height, and peak area of each chromatographic peak in the historical reference drug chromatogram.

[0095] The second historical retention time, the second historical height, and the second historical area can be the retention time, peak height, and peak area of each chromatographic peak in the historical preset reference drug chromatogram.

[0096] The historical retention time difference, the historical height difference, and the historical area difference can be the difference between the first historical retention time and the second historical retention time, the difference between the first historical height and the second historical height, and the difference between the first historical area and the second historical area.

[0097] The dataset can be all relevant historical data, including adjustment parameters, adjustment ranges, retention times, peak heights, peak areas, etc., used to train the parameter optimization model.

[0098] The preset model training standard can be the expected standard achieved by model training, such as error rate, accuracy, etc.

[0099] Historical adjustment records can be extracted from the high-performance liquid chromatography analysis system log or database, and relevant chromatograms can be extracted from the system's historical data. The specific parameters and their ranges of each adjustment can be extracted from the historical adjustment records. The first historical retention time, the first historical height, the first historical area, the second historical retention time, the second historical height, and the second historical area can be extracted from the historical reference drug chromatogram and the historical preset reference drug chromatogram. The differences between the first historical retention time and the second historical retention time, the first historical height and the second historical height, and the first historical area and the second historical area can be calculated respectively. All relevant data, including adjustment parameters, adjustment ranges, retention times, peak heights, peak areas, and their differences, etc., can be integrated into a dataset. Using the above-created dataset, a machine learning model, such as linear regression, decision tree, etc., can be constructed. The model can be trained using the dataset until the model reaches the preset training standard. Specifically, the Scikit-learn library in Python or other machine learning tools can be used.

[0100] In this solution, a large amount of historical data is used to train the parameter optimization model, which can make the adjustment process more scientific and accurate, reducing subjectivity and randomness. Through automated calculation and analysis, errors that may be brought about by manual operations are avoided, and the reliability of the analysis results is improved.

[0101] Based on the above technical solution, optionally, after training the parameter optimization model according to the dataset until the parameter optimization model reaches the preset model training standard, the method further includes:

[0102] Realtime identify whether the preset model update duration is reached. After reaching the preset model update duration, re-obtain the historical adjustment records of the high-performance liquid chromatography analysis system, and re-determine the historical adjustment parameters and historical parameter adjustment ranges for adjusting the historical control drug chromatogram to the historical preset control drug chromatogram according to the historical adjustment records;

[0103] Re-determine the first historical retention time, first historical height, and first historical area of each chromatographic peak before the historical control drug chromatogram is adjusted, and determine the second historical retention time, second historical height, and second historical area of each chromatographic peak of the historical preset control drug chromatogram;

[0104] Re-calculate the historical retention time difference between the first historical retention time and the second historical retention time, the historical height difference between the first historical height and the second historical height, and the historical area difference between the first historical area and the second historical area;

[0105] Re-create a dataset according to the historical adjustment parameters, historical parameter adjustment ranges, first historical retention time, first historical height, first historical area, second historical retention time, second historical height, second historical area, historical retention time difference, historical height difference, and historical area difference;

[0106] Re-train the parameter optimization model according to the dataset until the parameter optimization model reaches the preset model training standard.

[0107] In this solution, the preset model update duration may refer to the time interval for updating and re-training the parameter optimization model. This duration is set according to system requirements, data accumulation speed, and the performance of the model. The specific set time interval can be determined by the following factors: data accumulation speed. If the data accumulates quickly, a shorter update duration is required, such as every month or every quarter. Model performance. If the model performance gradually declines over time, more frequent updates are required. System requirements. Set the update duration according to the actual usage situation and requirements of the system. Resource availability. Determine the update frequency according to the availability of computing resources and human resources.

[0108] A time interval can be set, for example, the model is updated every 6 months or 1 year. Through the system timer or timestamp, the current time is monitored in real time to check if it reaches the preset update duration. Then, retrieve the historical adjustment records of the high-performance liquid chromatography analysis system. Specifically, ensure that the historical adjustment records of the high-performance liquid chromatography system are stored in an accessible database. Write a program to extract the historical adjustment records from the database, including all relevant parameters and adjustment ranges. Then, parse the extracted historical adjustment records to identify the specific parameters and ranges of each adjustment. Aggregate all the historical adjustment parameters to form a complete dataset of adjustment records. Extract the chromatographic peak data of the historical reference drug chromatogram and the historical preset reference drug chromatogram from the historical data. Calculate the first historical retention time, the first historical height, the first historical area of each chromatographic peak, as well as the second historical retention time, the second historical height, and the second historical area. Then, recalculate the historical differences. Specifically, calculate the difference between the first historical retention time and the second historical retention time. Recalculate the difference between the first historical height and the second historical height. Recalculate the difference between the first historical area and the second historical area. Then, aggregate all the historical adjustment parameters, adjustment ranges, historical retention times, historical heights, historical areas, and their differences into a new dataset. Use the new dataset to train the selected model. Techniques such as cross-validation can be used to ensure the generalization ability of the model. Then, verify the model performance to ensure that it meets the preset model training criteria.

[0109] In this solution, over time, the data and system environment may change, and the old model may no longer adapt to the new data distribution or features. Regularly updating the model can ensure that the model is trained based on the latest data, thus maintaining high accuracy and reliability.

[0110] S103, if it is necessary to adjust the operating parameters of the high-performance liquid chromatography analysis system, continuously determine the operating parameter adjustment information through the preset parameter optimization model, and continuously update the operating parameters of the high-performance liquid chromatography analysis system according to the operating parameter adjustment information until a complete chromatogram of the drug sample and a complete chromatogram of the reference drug are obtained.

[0111] The operating parameter adjustment information can be specific adjustment suggestions generated by the parameter optimization model, including which parameters need to be adjusted and the specific adjustment ranges or values. Specifically, it can include the flow rate, which adjusts the speed of the mobile phase passing through the chromatographic column. The gradient program, which modifies the program of the change in the mobile phase composition over time. The column temperature, which adjusts the temperature of the chromatographic column. The injection volume, which adjusts the sample volume injected into the injection system. The detection wavelength, which modifies the wavelength used by the detector to measure the peaks.

[0112] The complete chromatogram of the drug sample can be the chromatogram obtained by analyzing the drug sample solution with a high performance liquid chromatography (HPLC) analysis system, which shows the retention time, peak height, and peak area of all components in the sample.

[0113] The complete chromatogram of the reference drug can be the chromatogram obtained by analyzing the reference drug solution with a high performance liquid chromatography (HPLC) analysis system, which shows the retention time, peak height, and peak area of all components in the reference drug.

[0114] The preset parameter optimization model can compare the calculated differences with preset thresholds. If the differences exceed the thresholds, parameter adjustment is required. If the operating parameters of the high performance liquid chromatography (HPLC) analysis system need to be adjusted, based on the analysis of historical data, the established machine learning model can identify which changes in operating parameters have the greatest impact on the chromatogram and give adjustment suggestions. Specifically, if the retention time deviation is large, the model can suggest adjusting the flow rate or gradient program. If the peak height or area deviation is large, the model can suggest adjusting the injection volume or column temperature. Based on the effects of historical adjustments, the model will give an operating parameter adjustment message. Then, the control software of the high performance liquid chromatography (HPLC) analysis system receives the adjustment suggestions from the parameter optimization model and automatically adjusts the operating parameters of the high performance liquid chromatography (HPLC) analysis system, such as adjusting the flow rate, changing the gradient program, and modifying the column temperature. After the adjustment, the high performance liquid chromatography (HPLC) analysis system is re-run for analysis to generate a new chromatogram of the drug sample and a new chromatogram of the reference drug. The data of the new chromatogram of the reference drug is input into the parameter optimization model again, and the above steps are repeated until the parameter optimization is completed to obtain a complete chromatogram of the drug sample and a complete chromatogram of the reference drug. For example, the retention time of the chromatogram of the reference drug is 5.2 min, the peak height is 1200 mAU, and the area is 3000 mAU*min. The preset retention time of the chromatogram of the reference sample is 5.0 min, the peak height is 1000 mAU, and the area is 2800 mAU*min. After calculating the differences, the retention time difference is 0.2 min, the peak height difference is 200 mAU, and the area difference is 200 mAU*min. Then, a difference evaluation is performed. The preset thresholds are: the retention time difference threshold is 0.1 min, the peak height difference threshold is 100 mAU, and the area difference threshold is 100 mAU*min. Then, the retention time difference exceeds the threshold and needs to be adjusted. Then, adjustment suggestions are generated. Among them, the adjustment parameter is the flow rate, and the adjustment range is from 1.0 mL / min to 1.1 mL / min. The specific suggestion is to adjust the flow rate from 1.0 mL / min to 1.05 mL / min.

[0115] Based on the above technical solution, optionally, if the operating parameters of the high performance liquid chromatography (HPLC) analysis system need to be adjusted, the parameter optimization model is used to continuously determine the operating parameter adjustment information:

[0116] If it is necessary to adjust the operating parameters of the high-performance liquid chromatography analysis system, the target adjustment parameters and the parameter adjustment range of the target adjustment parameters are determined according to the preset parameter optimization model based on the first retention time difference, the first height difference, the first area difference, the preset retention time difference threshold, the preset height difference threshold, and the preset area difference threshold;

[0117] Determine the operating parameter adjustment information according to the target adjustment parameters and the parameter adjustment range.

[0118] In this solution, the target adjustment parameter can be the specific parameter of the high-performance liquid chromatography analysis system that needs to be adjusted, such as flow rate, temperature gradient, and solvent ratio.

[0119] The parameter adjustment range can be the range that each target adjustment parameter can be adjusted, such as the percentage or absolute value range of the adjustment.

[0120] It is possible to judge which parameters need to be adjusted according to specific analysis requirements and set thresholds. If the first retention time difference exceeds the preset retention time difference threshold, the liquid phase flow rate or gradient program can be adjusted to optimize the control of the retention time; if the first peak height difference exceeds the preset height difference threshold, parameters such as injection volume, detector sensitivity, or column temperature can be adjusted. If the first peak area difference exceeds the preset area difference threshold, parameters such as injection volume, solvent flow rate, or detector gain can be adjusted. Then, using the historical chromatogram data of the reference drug, analyze the effects of different parameters, such as liquid phase flow rate, gradient program, injection volume, detector sensitivity, and column temperature, on the retention time, peak height, and peak area of the chromatographic peaks. Determine the degree and direction of the influence of different parameter adjustments on the retention time, peak height, and peak area. Based on historical data, train a parameter optimization model to predict the influence of each parameter adjustment on the analysis result, and then the parameter adjustment range can be determined, for example, while ensuring the accuracy of the analysis result, maximizing the effect of parameter adjustment.

[0121] When the target adjustment parameters and the parameter adjustment range are determined, the two can be combined to form the operating parameter adjustment information.

[0122] In this solution, by monitoring and adjusting key parameters, the retention time, height, and area of the chromatographic peaks can be effectively controlled, the stability and accuracy of the analysis result can be ensured, the deviation of the analysis result caused by parameter fluctuations can be avoided, and the reliability of the data can be improved.

[0123] S104, determine the drug component information of the sample drug according to the complete chromatogram of the drug sample and the complete chromatogram of the reference drug.

[0124] Drug component information may include the name of the component, the name of the compound or the chemical identifier. Concentration: The concentration of each component in the sample.

[0125] A complete chromatogram of the drug sample and a complete chromatogram of the reference drug can be obtained. Specifically, the sample chromatogram can be obtained by performing high-performance liquid chromatography on the drug sample solution to obtain the chromatogram of the sample. The reference chromatogram can be obtained by performing high-performance liquid chromatography on the reference drug solution with known components and concentrations to obtain the chromatogram of the reference drug. Then, use chromatography software to automatically or manually identify each peak in the chromatogram and record the retention time of each peak. Compare the retention time of each peak in the sample chromatogram with the retention time in the reference chromatogram to identify the matching reference peaks. Based on the known components in the reference chromatogram, determine the name of the component corresponding to each peak in the sample chromatogram. Then, calculate the area of each component peak through chromatography software. Specifically, a standard curve can be established using the peak area and known concentration in the reference drug chromatogram, with the concentration on the Y-axis and the peak area on the X-axis. Substitute the area of each peak in the sample chromatogram into the standard curve to calculate the concentration of each component in the sample. Determine the drug component information based on the concentration and the name of the component.

[0126] S105, perform mass spectrometry on the complete chromatogram of the drug sample to determine the impurity component information of the sample drug.

[0127] Impurity component information may include the chemical name of the impurity, the specific name or chemical identifier of the impurity determined by mass spectrometry. Molecular structure, the molecular structure information of the impurity. Relative molecular mass, the molecular weight of the impurity. Content of the impurity, the concentration of the impurity in the sample.

[0128] Each component in the sample can be separated by a high-performance liquid chromatography analysis system, the impurity peaks can be identified and collected, and the collected impurity peaks can be directly introduced into a mass spectrometer for analysis to obtain the mass spectrum of the impurity peaks. Perform mass spectrometry on the impurity peaks through the mass spectrometer to obtain the mass spectrum. Determine the molecular weight of the impurity from the mass spectrum, speculate on the molecular structure of the impurity based on the mass spectrometry fragment information, match the mass spectrometry data with the mass spectrometry database to confirm the chemical name and molecular structure of the impurity. Based on the determined impurity components, prepare an impurity standard solution with a known concentration. Perform mass spectrometry on the standard solution to obtain the mass spectrum of the standard solution and draw a standard curve. Substitute the area of the impurity peaks in the sample into the standard curve to calculate the concentration of the impurity in the sample. Determine the impurity component information based on the chemical name, molecular structure, relative molecular mass, and impurity content.

[0129] Based on the above technical solution, optionally, perform mass spectrometry on the complete chromatogram of the drug sample to determine the impurity component information of the sample drug, including:

[0130] Perform mass spectrometry on the impurity peaks to obtain the first mass spectrum of the impurity peaks;

[0131] Determine the molecular structure, relative molecular mass, and chemical name of the impurities based on the mass spectrum and a preset mass spectrometry database;

[0132] Prepare at least two impurity standard solutions according to the molecular structure and relative molecular mass, perform mass spectrometry analysis on each of the impurity standard solutions, and obtain the second mass spectra of the impurity standard solutions;

[0133] Determine the target impurity standard solution based on the first mass spectrum and the second mass spectra, and use the concentration information of the target impurity standard solution as the impurity concentration information;

[0134] Determine the impurity component information of the sample drug according to the molecular structure, relative molecular mass, chemical name, and impurity concentration information.

[0135] In this solution, the first mass spectrum can be the mass spectrum obtained by performing mass spectrometry analysis on the impurity peak. This spectrum shows the mass spectrometry characteristics of the impurity peak, such as the molecular ion peak and fragment peaks, which can be used to infer the possible structure of the compound.

[0136] The preset mass spectrometry database can be a database containing mass spectrometry data and related information of a large number of known compounds, which is used to compare with the first mass spectrum to determine the molecular structure and relative molecular mass of the impurities.

[0137] The molecular structure can be the chemical formula of the impurity determined according to the comparison result between the first mass spectrum and the mass spectrometry database

[0138] The relative molecular mass can be the molecular weight of the impurity determined according to the comparison result between the first mass spectrum and the mass spectrometry database.

[0139] The impurity standard solution can be the impurity standard solution prepared according to the determined molecular structure and relative molecular mass. These solutions contain the target impurities with known concentrations and are used for subsequent mass spectrometry analysis and quantitative analysis.

[0140] The second mass spectrum can be the second mass spectra of each impurity standard solution obtained by performing mass spectrometry analysis on each impurity standard solution. These mass spectra show the mass spectrometry characteristics of the target impurities in each impurity standard solution and are used to confirm the mass spectrometry behavior of the target impurities and their presence in the standard solution.

[0141] The target impurity standard solution can be the mass spectrum that meets the target impurity standard solution determined by comparing the first mass spectrum and the second mass spectra. Specifically, it can include comparing the relative intensities and mass spectrometry characteristics of the mass spectrometry peaks to confirm the presence and concentration of the target impurities.

[0142] The impurity concentration information can be the known concentration of the target impurity standard solution as the impurity concentration information. These concentrations can be determined by a standard curve or other quantitative methods.

[0143] A mass spectrometry instrument can be used to perform mass spectrometry analysis on the impurity peaks to obtain their mass spectra. The mass spectrum shows the molecular ion peak and fragment peaks of the compound, which can be used to infer its possible chemical structure. Compare the first mass spectrum with a preset mass spectrometry database. The mass spectrometry database contains mass spectrometry information of a large number of known compounds. By comparison, the molecular structure and relative molecular mass of the impurity can be determined. According to the determined molecular structure and relative molecular mass, at least two different concentrations of impurity standard solutions are prepared. These solutions are used for subsequent mass spectrometry analysis and quantitative analysis. Perform mass spectrometry analysis on each impurity standard solution to obtain the second mass spectrum of each impurity standard solution. These mass spectra show the mass spectrometry characteristics of the target impurity in each standard solution, which are used to confirm the mass spectrometry behavior of the target impurity and its presence in the solution. Then, perform a comparative analysis of the first mass spectrum with the second mass spectra of each impurity standard solution. Specifically, the relative intensities of the molecular ion peak and possible fragment peaks of the target impurity in the first mass spectrum and the second mass spectra can be compared. This can help confirm the presence of the target impurity and determine its relative concentration. Compare other characteristics in the mass spectra, such as the appearance and relative positions of the fragment peaks. Matching these characteristics helps confirm the mass spectrometry behavior of the impurity, especially its changes at different concentrations. Determine the mass spectrometry characteristics that conform to the target impurity standard solution according to the comparison results. Those characteristics that show similarity in the first mass spectrum and the second mass spectra can be selected to ensure that the selected standard solution can accurately reflect the mass spectrometry characteristics and concentration of the target impurity. Use the known concentration of the target impurity standard solution as the impurity concentration information. These concentration information can be obtained through a standard curve or quantitative analysis method to ensure that the impurity components in the sample can be correctly quantified subsequently. When the molecular structure, relative molecular mass, and impurity concentration information are determined, combine the molecular structure, relative molecular mass, and impurity concentration information into the impurity component information of the sample drug.

[0144] In this solution, by comparing the first mass spectrum of the impurity peaks in the sample with the second mass spectra of various impurity standard solutions, it is possible to ensure an accurate understanding and confirmation of the mass spectrometry characteristics of the target impurity, thereby improving the accuracy and reliability of the analysis results.

[0145] Based on the above technical solution, optionally, determining the target impurity standard solution according to the first mass spectrum and the second mass spectrum includes:

[0146] Obtain the first mass peak area of each mass peak in the first mass spectrum, and obtain the second mass peak area of each mass peak in the second mass spectrum;

[0147] Calculate the mass spectrometry peak area ratio of the first mass spectrometry peak area of each mass spectrometry peak in the first mass spectrometry diagram to the second mass spectrometry peak area of each mass spectrometry peak in the second mass spectrometry diagram;

[0148] Take the second mass spectrometry peaks with the mass spectrometry peak area ratio within the preset mass spectrometry peak area ratio range as the target mass spectrometry peaks, and take the impurity standard solution corresponding to the target mass spectrometry peaks as the target impurity standard solution.

[0149] In this solution, in the mass spectrometry diagram, a mass spectrometry peak can represent an ion signal with a specific mass-to-charge ratio, representing the presence of a compound or ion.

[0150] In the first mass spectrometry diagram, the area of each mass spectrometry peak can refer to the area under the peak, reflecting the relative abundance or concentration of each mass spectrometry peak.

[0151] In the second mass spectrometry diagram, it also refers to the area under the peak of each mass spectrometry peak, which is used to compare with the corresponding peak in the first mass spectrometry diagram.

[0152] The mass spectrometry peak area ratio can be calculated as the ratio of the area of each mass spectrometry peak in the first mass spectrometry diagram to the area of the corresponding mass spectrometry peak in the second mass spectrometry diagram. This ratio is used to compare the mass spectrometry characteristics of the same compound under different conditions to determine its relative concentration or content in different solutions.

[0153] The preset mass spectrometry peak area ratio range can be a reasonable mass spectrometry peak area ratio range set for each impurity. This range can be determined according to experimental conditions, mass spectrometer performance, and previous validation data, reflecting the change range of impurities in different standard solutions.

[0154] The target mass spectrometry peak can be determined as the target mass spectrometry peak according to the second mass spectrometry peak with the mass spectrometry peak area ratio within the preset range. This indicates that the mass spectrometry characteristics of this peak in the measured impurity standard solution match the target impurity in the sample.

[0155] The target impurity standard solution can be determined as the target impurity standard solution for the standard solution containing the target mass spectrometry peak. These solutions will be used as reference substances in subsequent analyses to quantify and verify the presence and concentration of impurities in the sample.

[0156] For the first mass spectrum, the first mass peak areas of each mass peak can be recorded. These areas represent the relative abundances or concentrations of each mass peak in the sample. For the second mass spectrum, the second mass peak areas of each mass peak can be recorded. These areas are measured under different conditions, such as standard solutions with different concentrations. For each mass peak, calculate the ratio of the mass peak area in the first mass spectrum to the mass peak area of the corresponding mass peak in the second mass spectrum. This ratio reflects the change in the relative concentration or abundance of the same impurity in different solutions. To determine the target mass peak, a reasonable range of mass peak area ratios needs to be set. This range can be based on previous validation data or the standards of mass spectrometry experiments, reflecting the change range of impurities in different standard solutions. For each impurity, evaluate whether its mass peak area ratio is within the preset range. If the area ratio of a certain mass peak meets the preset range, then that mass peak is determined as the target mass peak. The standard solution containing the target mass peak is determined as the target impurity standard solution. These solutions are usually measured in mass spectrometry experiments and are used as reference substances in subsequent analyses.

[0157] In this solution, by comparing the first mass spectrum with the second mass spectra of various standard solutions, the standard solution of each impurity can be accurately determined. These standard solutions have known concentrations and mass spectrometry characteristics and can be used as reference substances for subsequent quality control and quantitative analysis. Using the target impurity standard solution can ensure the accuracy and reproducibility in mass spectrometry analysis. Since the concentrations and characteristics of the standard solutions are known, they can be compared with the impurities in the sample to verify the accuracy of the analysis results.

[0158] S106, determine whether the sample drug meets the preset drug quality evaluation criteria according to the drug ingredient information and impurity ingredient information. If the sample drug meets the preset drug quality evaluation criteria, determine that the sample drug passes the quality inspection.

[0159] The preset drug quality evaluation criteria can refer to the specific standards and specifications for evaluating drug quality. Specifically, it can include the drug ingredient content standard, which stipulates the allowable concentration range of active ingredients and main excipients in the drug. The impurity limit standard, which stipulates the upper limit of the allowable concentration of various impurities in the drug, such as organic impurities, inorganic impurities, and solvent residues.

[0160] The concentration of each active ingredient in the drug sample can be determined, and these concentrations are compared with preset standards to ensure that all ingredients are within the allowable range. For example, if the concentration of a certain active ingredient in the drug sample is 95%, and the standard concentration range is 90% - 110%, then this ingredient meets the standard. The concentration of each impurity in the drug sample is determined, and these concentrations are compared with the preset impurity limit standards to ensure that all impurity concentrations are within the allowable range. For example, if the concentration of a certain impurity in the sample is 0.2%, and the maximum allowable concentration specified by the standard is 0.5%, then this impurity meets the standard.

[0161] For the technical solution provided in this embodiment, a drug sample solution and a control drug solution are obtained, and the drug sample solution and the control drug solution are injected into a high-performance liquid chromatography analysis system for the high-performance liquid chromatography analysis of the drug sample solution and the control drug solution by the high-performance liquid chromatography analysis system according to the initial operating parameters; continuously obtain the control drug chromatogram output by the high-performance liquid chromatography analysis system, continuously input the control drug chromatogram into a preset parameter optimization model to determine whether the operating parameters of the high-performance liquid chromatography analysis system need to be adjusted; if the operating parameters of the high-performance liquid chromatography analysis system need to be adjusted, then continuously determine the operating parameter adjustment information through the preset parameter optimization model, and continuously update the operating parameters of the high-performance liquid chromatography analysis system according to the operating parameter adjustment information until a complete drug sample chromatogram and a complete control drug chromatogram are obtained; determine the drug component information of the sample drug according to the complete drug sample chromatogram and the complete control drug chromatogram; perform mass spectrometry analysis on the complete drug sample chromatogram to determine the impurity component information of the sample drug; determine whether the sample drug meets the preset drug quality evaluation standard according to the drug component information and the impurity component information. If the sample drug meets the preset drug quality evaluation standard, it is determined that the sample drug passes the quality inspection. Through the above intelligent detection method for drug components and drug quality, through the automated operations of the high-performance liquid chromatography analysis system and the parameter optimization model, the manual operation time and human errors can be reduced, and the detection efficiency and accuracy can be improved. By comparing the control drug chromatogram with the preset chromatogram and continuously optimizing the operating parameters, the analysis results can be made more accurate and stable.

[0162] Based on the above technical solution, optionally, after determining whether the sample drug meets the preset drug quality evaluation standard according to the drug component information and the impurity component information, the method further includes:

[0163] If the sample drug does not meet the preset drug quality evaluation standard, it is determined that the sample drug fails the quality inspection, and a quality inspection failure message is sent to the control center.

[0164] In this solution, the information of failed quality inspection can include sample information, including the identification information of the sample drug, such as batch number and sample number, etc. The quality inspection result clearly indicates the specific quality evaluation criteria for the failed sample, such as specific content determination, impurity limit, and quality control parameters, etc. The problem description describes the specific reasons for the failed sample, which can include details of the analysis results not meeting the standards or abnormal situations.

[0165] The detailed information of the failed quality inspection can be recorded. Specifically, it can include specific test data and any abnormal situations during the analysis process. The information of the failed quality inspection is sent to the control center through wireless communication technology.

[0166] In this solution, through the information of the failed quality inspection, the problems or situations that do not meet the preset standards in the quality assessment of the sample drug can be discovered in a timely manner, which helps to take corrective measures as early as possible.

[0167] Embodiment 2

[0168] Figure 2 is a schematic flowchart of the intelligent detection method for drug ingredients and drug quality provided by Embodiment 2 of this application. As Figure 2 shown, the specific method includes the following steps:

[0169] S201, Obtain the drug sample solution and the control drug solution, and inject the drug sample solution and the control drug solution into the high-performance liquid chromatography analysis system for the high-performance liquid chromatography analysis of the drug sample solution and the control drug solution by the high-performance liquid chromatography analysis system according to the initial operating parameters.

[0170] S202, Continuously obtain the control drug chromatogram output by the high-performance liquid chromatography analysis system, and continuously input the control drug chromatogram into the preset parameter optimization model to obtain the first retention time, first height, and first area of each chromatographic peak of the control drug chromatogram.

[0171] The chromatographic peak can refer to the peak-shaped signal detected by the detector after different components in the drug sample are separated in the chromatographic column. Each peak represents a compound or component, and its height and area reflect the relative concentration of the compound in the sample and the detection sensitivity.

[0172] The first retention time can be the time interval from when a compound enters the chromatographic column to when it is detected by the detector in the control drug chromatogram. Different compounds have different retention times because of their different affinities with the stationary phase, so they stay in the chromatographic column for different times.

[0173] The first height can refer to the maximum peak height reached by the chromatographic peak during the detection by the detector in the control drug chromatogram. It reflects the signal intensity of the compound in the detector or the relative intensity of the peak.

[0174] The first area can be the area under the chromatographic peak in the chromatogram of the reference drug, which represents the sum of all signals within the peak through the integration of the peak area.

[0175] The high-performance liquid chromatography analysis system can start analyzing the sample and obtain the chromatogram of the reference drug through the detector. These chromatograms will show the peaks of different compounds. The continuously obtained chromatograms of the reference drug can be input into a preset parameter optimization model. This model will analyze the first retention time, the first height, and the first area of each chromatographic peak.

[0176] S203, obtain the preset chromatogram of the reference drug through the preset parameter optimization model, and determine the second retention time, the second height, and the second area of each chromatographic peak of the preset chromatogram of the reference drug.

[0177] The preset chromatogram of the reference drug can be generated based on the standard drug data obtained in previous experiments. Specifically, it can come from the analysis of standards of known compounds to determine their chromatographic behavior under specific analysis conditions. Or it can be based on the data obtained in previous quality control experiments, including the analysis results of standard samples.

[0178] The second retention time can refer to the retention time of a specific compound or component in the preset chromatogram of the reference drug. The retention time is the time interval from when the sample enters the chromatographic column to when it is detected by the detector, reflecting the residence time of the compound in the chromatographic column.

[0179] The second height can refer to the peak height of a specific chromatographic peak in the preset chromatogram of the reference drug. It represents the maximum height of this chromatographic peak reached during the detection by the detector.

[0180] The second area can refer to the area under a specific chromatographic peak in the preset chromatogram of the reference drug. This area is calculated by integrating the peak-shaped signal and is used to quantify the relative concentration of the compound in the sample.

[0181] The chromatogram data of the standard drug can be obtained through previous experiments or quality control procedures. Specifically, these data can include parameters such as the retention time, peak height, and peak area of each chromatographic peak. Based on the standard drug data, a preset chromatogram of the reference drug is generated. Specifically, it can be completed through data processing software or professional analysis tools to ensure the accuracy of the graph and parameters. Extract parameters such as the second retention time, the second height, and the second area of each chromatographic peak from the generated preset chromatogram of the reference drug. These parameters are the reference standards for subsequent analysis.

[0182] S204. Calculate the first retention time difference between the corresponding chromatographic peaks of the control drug chromatogram and the preset control drug chromatogram, the first height difference between the first height and the second height, and the first area difference between the first area and the second area through a preset parameter optimization model.

[0183] The first retention time difference can be the difference between the retention time of the corresponding chromatographic peak in the control drug chromatogram and the retention time of the same chromatographic peak in the preset control drug chromatogram. Specifically, this difference can refer to the deviation between the actually measured retention time and the expected value.

[0184] The first height difference can be the difference between the peak height of the corresponding chromatographic peak in the control drug chromatogram and the peak height of the same chromatographic peak in the preset control drug chromatogram. The height difference reflects the difference in peak intensity between the two, that is, the maximum height of the peak.

[0185] The first area difference can represent the difference between the peak area of the corresponding chromatographic peak in the control drug chromatogram and the peak area of the same chromatographic peak in the preset control drug chromatogram. The peak area difference is the difference in the integrated area under the peak, reflecting the difference in concentration or quantity to some extent between the two.

[0186] The preset parameter optimization model can be used to compare and calculate the differences in the retention time, peak height, and peak area of each chromatographic peak in the control drug chromatogram with the retention time, peak height, and peak area of the corresponding chromatographic peak in the preset control drug chromatogram, that is, subtracting the preset value from the actually measured value to obtain the first retention time difference, the first height difference, and the first area difference.

[0187] S205. Determine whether it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system through the preset parameter optimization model according to the first retention time difference, the first height difference, the first area difference, the preset retention time difference threshold, the preset height difference threshold, and the preset area difference threshold.

[0188] The preset retention time difference threshold can refer to the maximum allowable range of the retention time difference between the control drug chromatogram and the preset control drug chromatogram.

[0189] The preset height difference threshold can be used to determine the allowable difference range between the peak height in the control drug chromatogram and the same peak height in the preset control drug chromatogram.

[0190] The preset area difference threshold can be the maximum allowable difference range between the peak area in the control drug chromatogram and the same peak area in the preset control drug chromatogram.

[0191] The calculated first retention time difference, first height difference, and first area difference can be compared with a preset retention time difference threshold, height difference threshold, and area difference threshold respectively. If any of the differences exceeds the corresponding threshold, it indicates that there is a significant difference between the control drug chromatogram and the preset control drug chromatogram, and the operating parameters of the high-performance liquid chromatography analysis system need to be adjusted.

[0192] S206, if the operating parameters of the high-performance liquid chromatography analysis system need to be adjusted, the operating parameter adjustment information is continuously determined through a preset parameter optimization model, and the operating parameters of the high-performance liquid chromatography analysis system are continuously updated according to the operating parameter adjustment information until a complete drug sample chromatogram and a complete control drug chromatogram are obtained.

[0193] S207, determine the drug component information of the sample drug according to the complete drug sample chromatogram and the complete control drug chromatogram.

[0194] S208, perform mass spectrometry analysis on the complete drug sample chromatogram to determine the impurity component information of the sample drug.

[0195] S209, determine whether the sample drug meets the preset drug quality evaluation standard according to the drug component information and the impurity component information. If the sample drug meets the preset drug quality evaluation standard, it is determined that the sample drug passes the quality inspection.

[0196] In this embodiment, by continuously inputting the control drug chromatogram into the parameter optimization model, parameters such as the retention time, peak height, and peak area of each chromatographic peak can be obtained in real time, thereby helping to monitor the changes during the analysis process and making timely responses to ensure that the analysis results are more accurate and reliable, thus improving the accuracy and consistency of the analysis of the drug components of the sample drug.

[0197] Embodiment III

[0198] Figure 3 is a schematic flowchart of the intelligent detection method for drug components and drug quality provided by Embodiment III of the present application. As Figure 3 shown, the specific method includes the following steps:

[0199] S301, determine the third retention time, third height, and third area of each chromatographic peak of the complete drug sample chromatogram.

[0200] The complete drug sample chromatogram can be the complete chromatogram of the drug sample obtained through the high-performance liquid chromatography analysis system, which contains information such as the retention time, peak height, and peak area of all chromatographic peaks.

[0201] The third retention time can be the retention time of any chromatographic peak in the complete chromatogram of the drug sample. In chromatographic analysis, the retention time is the time interval from when a specific compound enters the chromatographic column to when it appears in the detector, usually measured in minutes or seconds.

[0202] The third height can be the peak height of any chromatographic peak in the complete chromatogram of the drug sample. The peak height is the maximum signal intensity of the peak, indicating the relative concentration or amount of the compound in the detector.

[0203] The third area can be the peak area of any chromatographic peak in the complete chromatogram of the drug sample. The peak area is the integrated area under the peak, which can be the area between the peak base and the peak top.

[0204] The drug sample solution and the reference drug solution can be injected into the high-performance liquid chromatography analysis system, and the analysis program can be run to obtain the complete chromatogram of the drug sample. Using chromatographic analysis software or manual analysis, each chromatographic peak is identified and calibrated. Each peak represents a compound or component. For each chromatographic peak, measure its retention time, which is the time interval from sample injection to the peak's highest point. Measure the peak height of each chromatographic peak, which is the maximum signal intensity at the peak top. For each chromatographic peak, calculate the peak area, which can be done by integrating the signal curve under the peak. Record the measured third retention time, third peak height, and third peak area.

[0205] S302, determine the fourth retention time, fourth height, and fourth area of each chromatographic peak in the complete chromatogram of the reference drug.

[0206] The complete chromatogram of the reference drug can be the complete chromatogram of the reference sample obtained by the high-performance liquid chromatography analysis system, which contains information such as the retention time, peak height, and peak area of all chromatographic peaks.

[0207] The fourth retention time can be the retention time of any chromatographic peak in the complete chromatogram of the reference drug. In chromatographic analysis, the retention time is the time interval from when a specific compound enters the chromatographic column to when it appears in the detector, usually measured in minutes or seconds.

[0208] The fourth height can be the peak height of any chromatographic peak in the complete chromatogram of the reference drug. The peak height is the maximum signal intensity of the peak, indicating the relative concentration or amount of the compound in the detector.

[0209] The fourth area can be the peak area of any chromatographic peak in the complete chromatogram of the reference drug. The peak area is the integrated area under the peak, which can be the area between the peak base and the peak top.

[0210] The drug sample solution and the reference drug solution can be injected into the high performance liquid chromatography (HPLC) analysis system, and the analysis program can be run to obtain a complete reference drug chromatogram. Using chromatographic analysis software or manual analysis, each chromatographic peak can be identified and calibrated. Each peak represents a compound or component. For each chromatographic peak, measure its retention time, which is the time interval from sample injection to the peak apex. Measure the peak height of each chromatographic peak, which is the maximum signal intensity at the peak top. For each chromatographic peak, calculate the peak area, which can be done by integrating the signal curve under the peak. Record the measured fourth retention time, fourth peak height, and fourth peak area.

[0211] S303, calculate the second retention time difference between the third retention time and the fourth retention time of the corresponding chromatographic peaks in the complete drug sample chromatogram and the complete reference drug chromatogram. According to the second retention time difference and the preset retention time difference range, classify each chromatographic peak in the complete drug sample chromatogram into drug peaks, impurity peaks, and internal standard peaks; wherein, the number of drug peaks, impurity peaks, and internal standard peaks is at least one.

[0212] The second retention time difference may refer to the difference in retention time between each chromatographic peak in the drug sample chromatogram and the corresponding chromatographic peak in the reference drug chromatogram. This difference is used to evaluate the shift in retention time between the drug sample and the reference drug.

[0213] The preset retention time difference range may vary for drug peaks, impurity peaks, and internal standard peaks. Specifically, the retention time difference range for drug peaks can be set relatively strictly, for example, between 0.1 and 0.2 minutes. The impurity peaks can be set between 0.2 and 0.5 minutes, so that some impurities present in the sample can be tolerated without significantly affecting the analysis results. The internal standard peaks can be set very strictly, for example, between 0.05 and 0.1 minutes, to ensure that the retention time difference of the internal standard peaks is as small as possible, thereby reducing the error in quantitative analysis.

[0214] Drug peaks can be the chromatographic peaks formed by the main compounds or target components in the drug sample.

[0215] Impurity peaks can be the chromatographic peaks formed by other compounds unrelated to the target components in the drug sample, and usually need to be identified and quantitatively analyzed.

[0216] Internal standard peaks can be the chromatographic peaks formed by reference substances used for quantitative analysis, which are specific to the internal standard in the analysis process.

[0217] The complete chromatogram of the drug sample and the complete chromatogram of the reference drug can be obtained, and the difference in the second retention time of each chromatographic peak is calculated, that is, the difference between the retention time of the chromatographic peak in the drug sample chromatogram and the retention time of the corresponding chromatographic peak in the reference drug chromatogram. According to the preset retention time difference range, each chromatographic peak is classified. If the difference is within the preset range of the drug peak, it is classified as a drug peak; if the difference is within the preset range of the impurity peak, it is classified as an impurity peak; if the difference is within the preset range of the internal standard peak, it is classified as an internal standard peak.

[0218] S304. Determine the drug components of the sample drug according to the drug peak and the preset reference drug chromatogram; wherein, the type of the drug components is at least one.

[0219] The drug components can be the active ingredients contained in the drug. These components are the main substances for the drug to take effect. Specifically, they can be the main active ingredients of the drug, usually the substances that produce a therapeutic effect on diseases or symptoms.

[0220] After determining the drug peak, the drug peak can be compared with the preset reference drug chromatogram. For example, assume that the retention time of the main component A in the preset reference drug chromatogram is 10.5 minutes, the peak height is 1500, and the peak area is 50000. There is a peak in the sample chromatogram with a retention time of 10.6 minutes, a peak height of 1480, and a peak area of 49500. Then it is determined that the drug component corresponding to this drug peak is component A. Repeat the above steps to determine all eligible drug components in the sample.

[0221] S305. Calculate the height ratio of the third height of the drug peak to the third height of the corresponding internal standard peak, and calculate the area ratio of the third area of the drug peak to the third area of the corresponding internal standard peak.

[0222] The height ratio can refer to the ratio of the height of the drug peak to the height of the internal standard peak.

[0223] The area ratio can refer to the ratio of the area of the drug peak to the area of the internal standard peak.

[0224] A high-performance liquid chromatography system can be used to analyze the sample and record the heights and areas of the drug peak and the internal standard peak. According to the measurement results, calculate the height ratio of the third height of the drug peak to the third height of the internal standard peak:

[0225]

[0226] Calculate the area ratio of the third area of the drug peak to the third area of the internal standard peak:

[0227]

[0228] S306. Obtain the drug component curves of each drug component corresponding to each drug peak and the internal standard concentration of the experimental internal standard, and determine the drug content of each drug component according to the drug component curve, the height ratio, the internal standard concentration, and the area ratio.

[0229] The drug component curve can be a plotted curve representing the relationship between the peak height or area of a drug and its concentration. It can be obtained by conducting experiments on a series of standard samples with known concentrations, measuring their peak heights or areas, and plotting them into a curve.

[0230] The experimental internal standard can be an internal standard with a known concentration added to the sample in the experiment, used to correct the variability and errors in the analysis process.

[0231] The internal standard concentration can be the known concentration of the internal standard added in the experiment, usually expressed in ppm or ng / mL.

[0232] The drug content can refer to the specific concentration or amount of each drug component in the sample.

[0233] A series of standard samples with known concentrations can be prepared in advance, analyzed by a high-performance liquid chromatography analysis system, record the drug peak heights and areas at each concentration, plot the relationship curve between the drug peak height or area and its concentration to obtain the drug component curve, and store the drug component curve and the internal standard concentration of the corresponding experimental internal standard in the standard sample in the database. Then, obtain the drug component curve of each drug component corresponding to each drug peak and the internal standard concentration of the experimental internal standard from the database, and obtain the response factor of the drug component curve. The response factor of the drug component curve represents the response ratio of the target compound and the internal standard. Substitute the calculated height ratio and area ratio into the drug component curve to solve for the concentration of the drug in the sample. Specifically, the following formula can be used for calculation:

[0234]

[0235] Calculating the drug content using the height ratio and area ratio respectively is to verify the consistency of the calculation results.

[0236] S307. Determine the drug component information of the sample drug according to the drug component and the drug content.

[0237] When the drug component and the drug content are determined, the drug component and the drug content can be combined to obtain the drug component information of the sample drug.

[0238] In this embodiment, through the detailed analysis and comparison of the drug sample and the control drug, the parameters of the drug peak and the internal standard peak can be accurately determined, so as to accurately calculate the drug content and improve the accuracy and reliability of the analysis results.

[0239] Example 4

[0240] Figure 4 is a schematic structural diagram of an intelligent detection system for drug components and drug quality provided in Example 4 of this application. As Figure 4 shown, this system is used to implement the intelligent detection system method for drug components and drug quality provided in Examples 1, 2, and 3. Specifically, this system includes the following:

[0241] Drug solution injection module 401 is used to obtain a drug sample solution and a control drug solution, and inject the drug sample solution and the control drug solution into a high-performance liquid chromatography analysis system for the high-performance liquid chromatography analysis of the drug sample solution and the control drug solution by the high-performance liquid chromatography analysis system according to the initial operating parameters;

[0242] Chromatogram analysis module 402 is used to continuously obtain the control drug chromatogram output by the high-performance liquid chromatography analysis system, continuously input the control drug chromatogram into a preset parameter optimization model, and determine whether it is necessary to adjust the operating parameters of the high-performance liquid chromatography analysis system;

[0243] Operating parameter adjustment module 403 is used to, if it is necessary to adjust the operating parameters of the high-performance liquid chromatography analysis system, continuously determine the operating parameter adjustment information through the preset parameter optimization model, and continuously update the operating parameters of the high-performance liquid chromatography analysis system according to the operating parameter adjustment information until a complete drug sample chromatogram and a complete control drug chromatogram are obtained;

[0244] Drug component information determination module 404 is used to determine the drug component information of the sample drug according to the complete drug sample chromatogram and the complete control drug chromatogram;

[0245] Impurity component information determination module 405 is used to perform mass spectrometry analysis on the complete drug sample chromatogram to determine the impurity component information of the sample drug;

[0246] Drug quality evaluation module 406 is used to determine whether the sample drug meets the preset drug quality evaluation standard according to the drug component information and the impurity component information. If the sample drug meets the preset drug quality evaluation standard, it is determined that the sample drug passes the quality inspection.

[0247] In the embodiment of the present application, the drug solution injection module is used to obtain a drug sample solution and a control drug solution, and inject the drug sample solution and the control drug solution into a high performance liquid chromatography (HPLC) analysis system for the HPLC analysis system to perform HPLC analysis on the drug sample solution and the control drug solution according to initial operating parameters; the chromatogram analysis module is used to continuously obtain the control drug chromatogram output by the HPLC analysis system, continuously input the control drug chromatogram into a preset parameter optimization model to determine whether it is necessary to adjust the operating parameters of the HPLC analysis system; the operating parameter adjustment module is used to, if it is necessary to adjust the operating parameters of the HPLC analysis system, continuously determine the operating parameter adjustment information through the preset parameter optimization model, and continuously update the operating parameters of the HPLC analysis system according to the operating parameter adjustment information until a complete drug sample chromatogram and a complete control drug chromatogram are obtained; the drug component information determination module is used to determine the drug component information of the sample drug according to the complete drug sample chromatogram and the complete control drug chromatogram; the impurity component information determination module is used to perform mass spectrometry analysis on the complete drug sample chromatogram to determine the impurity component information of the sample drug; the drug quality evaluation module is used to determine whether the sample drug meets the preset drug quality evaluation standard according to the drug component information and the impurity component information. If the sample drug meets the preset drug quality evaluation standard, it is determined that the sample drug passes the quality inspection. Through the above intelligent detection system for drug components and drug quality, through the automated operations of the HPLC analysis system and the parameter optimization model, the manual operation time and human errors can be reduced, and the detection efficiency and accuracy can be improved. By comparing the control drug chromatogram with the preset chromatogram and continuously optimizing the operating parameters, the analysis results can be made more accurate and stable.

[0248] The above is only the preferred embodiment of the present application and the applied technical principle. The present application is not limited to the specific embodiments described herein. Various obvious changes, re-adjustments and substitutions that can be made by those skilled in the art will not depart from the protection scope of the present application. Therefore, although the present application has been described in detail through the above embodiments, the present application is not limited to the above embodiments. Without departing from the concept of the present application, more other equivalent embodiments can be included, and the scope of the present application is determined by the scope of the claims.

Claims

1. An intelligent detection method for drug ingredients and drug quality, characterized in that: The method comprises: Obtaining a drug sample solution and a control drug solution, and injecting the drug sample solution and the control drug solution into a high performance liquid chromatography analysis system, so that the high performance liquid chromatography analysis system performs high performance liquid chromatography analysis of the drug sample solution and the control drug solution according to initial operating parameters; Continuously obtaining a chromatogram of a control drug output by a high performance liquid chromatography analysis system, continuously inputting the chromatogram of the control drug into a preset parameter optimization model, and determining whether it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system; wherein continuously inputting the chromatogram of the control drug into a preset parameter optimization model, and determining whether it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system, includes: Continuously inputting the reference drug chromatogram into a preset parameter optimization model to obtain a first retention time, a first height, and a first area of ​​each chromatographic peak of the reference drug chromatogram; Obtaining a preset reference drug chromatogram through a preset parameter optimization model, and determining a second retention time, a second height, and a second area of ​​each chromatographic peak of the preset reference drug chromatogram; Calculate the first retention time difference between the first retention time and the second retention time, the first height difference between the first height and the second height, and the first area difference between the first area and the second area of ​​the corresponding chromatographic peak in the control drug chromatogram and the preset control drug chromatogram through a preset parameter optimization model; Determining whether it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system according to the first retention time difference, the first height difference, the first area difference, a preset retention time difference threshold, a preset height difference threshold, and a preset area difference threshold through a preset parameter optimization model; If the operating parameters of the HPLC analysis system need to be adjusted, the operating parameter adjustment information is continuously determined through a preset parameter optimization model, and the operating parameters of the HPLC analysis system are continuously updated according to the operating parameter adjustment information until a complete drug sample chromatogram and a complete control drug chromatogram are obtained; Determine the drug ingredient information of the sample drug based on the complete drug sample chromatogram and the complete control drug chromatogram; Perform mass spectrometry analysis on the complete drug sample chromatogram to determine the impurity component information of the sample drug; Whether the sample drug meets the preset drug quality evaluation standard is determined based on the drug ingredient information and the impurity ingredient information. If the sample drug meets the preset drug quality evaluation standard, it is determined that the sample drug has passed the quality inspection.

2. The intelligent detection method for drug ingredients and drug quality according to claim 1, characterized in that: If the operating parameters of the HPLC analysis system need to be adjusted, the operating parameter adjustment information is continuously determined through the preset parameter optimization model: If it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system, a target adjustment parameter and a parameter adjustment range of the target adjustment parameter are determined by a preset parameter optimization model according to the first retention time difference, the first height difference, the first area difference, a preset retention time difference threshold, a preset height difference threshold, and a preset area difference threshold; The operating parameter adjustment information is determined according to the target adjustment parameter and the parameter adjustment range.

3. The intelligent detection method for drug ingredients and drug quality according to claim 1, characterized in that: The drug component information of the sample drug is determined based on the complete drug sample chromatogram and the complete control drug chromatogram, including: Determining the third retention time, the third height and the third area of ​​each chromatographic peak of the complete drug sample chromatogram; Determining the fourth retention time, the fourth height, and the fourth area of ​​each chromatographic peak of the complete control drug chromatogram; Calculate the second retention time difference between the third retention time and the fourth retention time of the corresponding chromatographic peak in the complete drug sample chromatogram and the complete control drug chromatogram, and divide each chromatographic peak in the complete drug sample chromatogram into a drug peak, an impurity peak and an internal standard peak according to the second retention time difference and a preset retention time difference range; wherein the number of the drug peak, the impurity peak and the internal standard peak is at least one; Determining the drug component of the sample drug according to the drug peak and a preset control drug chromatogram; wherein the type of drug component is at least one; Calculating a height ratio of a third height of the drug peak to a third height of a corresponding internal standard peak, and calculating an area ratio of a third area of ​​the drug peak to a third area of ​​a corresponding internal standard peak; Obtaining a drug component curve of each drug component corresponding to each drug peak and an internal standard concentration of an experimental internal standard, and determining a drug content of each drug component according to the drug component curve, the height ratio, the internal standard concentration, and the area ratio; The drug component information of the sample drug is determined based on the drug components and the drug content.

4. The intelligent detection method for drug ingredients and drug quality according to claim 3 is characterized in that: Perform mass spectrometry analysis on the complete drug sample chromatogram to determine the impurity component information of the sample drug, including: Performing mass spectrometry analysis on the impurity peak to obtain a first mass spectrum of the impurity peak; Determining the molecular structure and relative molecular mass of the impurity according to the mass spectrum and a preset mass spectrum database; Prepare at least two impurity standard solutions according to the molecular structure and relative molecular mass, and perform mass spectrometry analysis on each impurity standard solution to obtain a second mass spectrum of each impurity standard solution; determining a target impurity standard solution according to the first mass spectrum and the second mass spectrum, and using concentration information of the target impurity standard solution as impurity concentration information; The impurity component information of the sample drug is determined based on the molecular structure, relative molecular mass and impurity concentration information.

5. The intelligent detection method for drug ingredients and drug quality according to claim 4, characterized in that: Determining a target impurity standard solution according to the first mass spectrum and the second mass spectrum includes: Obtaining a first mass spectrum peak area of ​​each mass spectrum peak of the first mass spectrum graph, and obtaining a second mass spectrum peak area of ​​each mass spectrum peak of the second mass spectrum graph; Calculating a mass spectrum peak area ratio of a first mass spectrum peak area of ​​each mass spectrum peak of the first mass spectrum graph to a second mass spectrum peak area of ​​each mass spectrum peak of the second mass spectrum graph; A second mass spectrum peak whose mass spectrum peak area ratio is within a preset mass spectrum peak area ratio range is taken as a target mass spectrum peak, and an impurity standard solution corresponding to the target mass spectrum peak is taken as a target impurity standard solution.

6. The intelligent detection method for drug ingredients and drug quality according to claim 1, characterized in that: After determining whether the sample drug meets the preset drug quality evaluation standard according to the drug component information and the impurity component information, the method further includes: If the sample drug does not meet the preset drug quality evaluation standard, it is determined that the sample drug has failed the quality inspection and a quality inspection failure information is sent to the control center.

7. The intelligent detection method for drug ingredients and drug quality according to claim 1, characterized in that: The training process of the preset parameter optimization model includes: Obtaining historical adjustment records of the high performance liquid chromatography analysis system, and determining historical adjustment parameters and historical parameter adjustment ranges for adjusting the historical control drug chromatogram to the historical preset control drug chromatogram according to the historical adjustment records; Determine the first historical retention time, the first historical height and the first historical area of ​​each chromatographic peak of the historical reference drug chromatogram before adjustment, and determine the second historical retention time, the second historical height and the second historical area of ​​each chromatographic peak of the historical preset reference drug chromatogram; Calculate the historical retention time difference between the first historical retention time and the second historical retention time, the historical height difference between the first historical height and the second historical height, and the historical area difference between the first historical area and the second historical area; Creating a data set based on the historical adjustment parameter, the historical parameter adjustment range, the first historical retention time, the first historical height, the first historical area, the second historical retention time, the second historical height, the second historical area, the historical retention time difference, the historical height difference, and the historical area difference; Construct a parameter optimization model, and train the parameter optimization model according to the data set until the parameter optimization model reaches a preset model training standard.

8. The intelligent detection method for drug ingredients and drug quality according to claim 7, characterized in that: After training the parameter optimization model according to the data set until the parameter optimization model reaches a preset model training standard, the method further includes: Identify in real time whether a preset model update duration has been reached, reacquire a historical adjustment record of the high performance liquid chromatography analysis system after the preset model update duration has been reached, and re-determine the historical adjustment parameters and historical parameter adjustment range for adjusting the historical control drug chromatogram to the historical preset control drug chromatogram based on the historical adjustment record; Re-determine the first historical retention time, the first historical height and the first historical area of ​​each chromatographic peak of the historical reference drug chromatogram before adjustment, and determine the second historical retention time, the second historical height and the second historical area of ​​each chromatographic peak of the historical preset reference drug chromatogram; recalculate the historical retention time difference between the first historical retention time and the second historical retention time, the historical height difference between the first historical height and the second historical height, and the historical area difference between the first historical area and the second historical area; Re-creating a data set according to the historical adjustment parameter, the historical parameter adjustment range, the first historical retention time, the first historical height, the first historical area, the second historical retention time, the second historical height, the second historical area, the historical retention time difference, the historical height difference, and the historical area difference; The parameter optimization model is retrained according to the data set until the parameter optimization model reaches a preset model training standard.

9. An intelligent detection system for drug ingredients and drug quality, characterized in that: The system comprises: A drug solution injection module, used to obtain a drug sample solution and a control drug solution, and inject the drug sample solution and the control drug solution into a high performance liquid chromatography analysis system, so that the high performance liquid chromatography analysis system performs high performance liquid chromatography analysis of the drug sample solution and the control drug solution according to initial operating parameters; The chromatogram analysis module is used to continuously obtain the control drug chromatogram output by the high performance liquid chromatography analysis system, continuously input the control drug chromatogram into the preset parameter optimization model, and determine whether the operating parameters of the high performance liquid chromatography analysis system need to be adjusted; wherein, continuously inputting the control drug chromatogram into the preset parameter optimization model to determine whether the operating parameters of the high performance liquid chromatography analysis system need to be adjusted includes: Continuously inputting the reference drug chromatogram into a preset parameter optimization model to obtain a first retention time, a first height, and a first area of ​​each chromatographic peak of the reference drug chromatogram; Obtaining a preset reference drug chromatogram through a preset parameter optimization model, and determining a second retention time, a second height, and a second area of ​​each chromatographic peak of the preset reference drug chromatogram; Calculate the first retention time difference between the first retention time and the second retention time, the first height difference between the first height and the second height, and the first area difference between the first area and the second area of ​​the corresponding chromatographic peak in the control drug chromatogram and the preset control drug chromatogram through a preset parameter optimization model; Determining whether it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system according to the first retention time difference, the first height difference, the first area difference, a preset retention time difference threshold, a preset height difference threshold, and a preset area difference threshold through a preset parameter optimization model; An operating parameter adjustment module is used to continuously determine the operating parameter adjustment information through a preset parameter optimization model if the operating parameters of the high performance liquid chromatography analysis system need to be adjusted, and continuously update the operating parameters of the high performance liquid chromatography analysis system according to the operating parameter adjustment information until a complete drug sample chromatogram and a complete control drug chromatogram are obtained; A drug component information determination module, used to determine the drug component information of the sample drug based on the complete drug sample chromatogram and the complete control drug chromatogram; The impurity component information determination module is used to perform mass spectrometry analysis on the complete drug sample chromatogram to determine the impurity component information of the sample drug; The drug quality evaluation module is used to determine whether the sample drug meets the preset drug quality evaluation standard based on the drug ingredient information and impurity ingredient information. If the sample drug meets the preset drug quality evaluation standard, it is determined that the sample drug has passed the quality inspection.

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