Intelligent detection method and system for medicine components and medicine quality

Abstract

The invention discloses an intelligent detection method for medicine components and medicine quality, and belongs to the field of artificial intelligence. The method comprises the following steps: acquiring 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 system; determining whether operation parameters of the high performance liquid chromatography system need to be adjusted or not; determining operation parameter adjustment information, and continuously updating operation parameters of the high performance liquid chromatography analysis system until a complete drug sample chromatogram and a complete control drug chromatogram are obtained; determining medicine component information and impurity component information of the sample medicine; and determining whether the sample medicine reaches a preset medicine quality evaluation standard or not according to the medicine component information and the impurity component information, and if the preset medicine quality evaluation standard is reached, determining that the sample medicine passes quality detection. According to the scheme, the manual operation time and personal errors can be reduced, the detection efficiency and accuracy are improved, and the analysis result is more accurate and stable.

Description

Technical Field

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

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

[0003] Nowadays, the composition and quality of drugs are tested through chemical analysis. The content of each component in the drug is determined by artificially operating chemical reactions. For example, the acid-base titration method directly determines the amount of active ingredients or impurities, and determines whether the drug quality meets the standard based on the set drug quality standards.

[0004] However, for certain complex drug samples, manual testing may have difficulty achieving the required detection accuracy and sensitivity, and it may take longer to complete the same task, resulting in lower detection efficiency. Summary of the invention

[0005] The embodiments of the present application provide an intelligent detection method for drug ingredients and drug quality, which solves the problem in the prior art that manual detection of drug ingredients and drug quality may be difficult to achieve the required detection accuracy and sensitivity for certain complex drug samples, and requires a longer time to complete the same task, resulting in low detection efficiency.

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

[0007] 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;

[0008] Continuously obtaining the chromatogram of the control drug output by the high performance liquid chromatography analysis system, and continuously inputting the chromatogram of the control drug into a preset parameter optimization model to determine whether the operating parameters of the high performance liquid chromatography analysis system need to be adjusted;

[0009] 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;

[0010] Determine the drug ingredient information of the sample drug based on the complete drug sample chromatogram and the complete control drug chromatogram;

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

[0012] 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.

[0013] Furthermore, the chromatogram of the control drug is continuously input into the preset parameter optimization model to determine whether the operating parameters of the HPLC analysis system need to be adjusted, including:

[0014] 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;

[0015] 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;

[0016] 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;

[0017] Whether it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system is determined through a 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.

[0018] Furthermore, 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 the preset parameter optimization model:

[0019] 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;

[0020] The operating parameter adjustment information is determined according to the target adjustment parameter and the parameter adjustment range.

[0021] Furthermore, the drug component information of the sample drug is determined based on the complete drug sample chromatogram and the complete control drug chromatogram, including:

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

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

[0024] 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;

[0025] 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;

[0026] 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;

[0027] 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;

[0028] The drug component information of the sample drug is determined based on the drug components and the drug content.

[0029] Furthermore, the complete drug sample chromatogram is subjected to mass spectrometry analysis to determine the impurity component information of the sample drug, including:

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

[0031] Determining the molecular structure and relative molecular mass of the impurity according to the mass spectrum and a preset mass spectrum 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 a second mass spectrum of each impurity standard solution;

[0033] 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;

[0034] The impurity component information of the sample drug is determined based on the molecular structure, relative molecular mass and impurity concentration information.

[0035] Further, determining a target impurity standard solution according to the first mass spectrum and the second mass spectrum includes:

[0036] 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;

[0037] 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;

[0038] 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.

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

[0040] 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.

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

[0042] 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;

[0043] 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;

[0044] 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;

[0045] 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;

[0046] 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.

[0047] Furthermore, 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:

[0048] 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;

[0049] 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;

[0050] 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;

[0051] 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;

[0052] The parameter optimization model is retrained according to the data set 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 comprising:

[0054] 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;

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

[0056] 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;

[0057] 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;

[0058] 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;

[0059] 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.

[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, 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 control drug chromatogram output by the high-performance liquid chromatography analysis system is continuously obtained, and the control drug chromatogram is continuously input 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, the operating parameter adjustment information is continuously determined through the 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; the drug component information of the sample drug is determined according to the complete drug sample chromatogram and the complete control drug chromatogram; mass spectrometry analysis is performed on the complete drug sample chromatogram to determine the impurity component information of the sample drug; according to the drug component information and the impurity component information, it is determined whether the sample drug meets the preset drug quality evaluation standard, and 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-mentioned intelligent detection method of drug ingredients and drug quality, through the automated operation of the high-performance liquid chromatography analysis system and parameter optimization model, manual operation time and human errors can be reduced, and 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. BRIEF DESCRIPTION OF THE DRAWINGS

[0061] Figure 1 It is a flow chart of the intelligent detection method of drug ingredients and drug quality provided in Example 1 of the present application;

[0062] Figure 2 It is a flow chart of the intelligent detection method of drug ingredients and drug quality provided in Example 2 of the present application;

[0063] Figure 3 It is a flow chart of the intelligent detection method of drug ingredients and drug quality provided in Example 3 of the present application;

[0064] Figure 4 It is a structural schematic diagram of an intelligent detection system for drug ingredients and drug quality provided in Example 4 of the present application; DETAILED DESCRIPTION

[0065] In order to make the purpose, technical scheme and advantages of the present application clearer, the specific embodiments of the present application are further described in detail below in conjunction with the accompanying drawings. It is understood that the specific embodiments described herein are only used to explain the present application, rather than to limit the present application. It should also be noted that, for the convenience of description, only the part related to the present application but not all the contents are shown in the accompanying drawings. Before discussing the exemplary embodiments in more detail, it should be mentioned that some exemplary embodiments are described as processes or methods depicted as flow charts. Although the flow chart describes each operation (or step) as a sequential process, many of the operations therein can be implemented in parallel, concurrently or simultaneously. In addition, the order of each operation can be rearranged. The process can be terminated when its operation is completed, but it can also have additional steps not included in the accompanying drawings. The process can correspond to a method, a function, a procedure, a subroutine, a subprogram, etc.

[0066] The following will be combined with the drawings in the embodiments of the present application to clearly describe the technical solutions in the embodiments of the present application. Obviously, the described embodiments are part of the embodiments of the present application, rather than all the embodiments. All other embodiments obtained by ordinary technicians in this field based on the embodiments in the present application belong to the scope of protection of this application.

[0067] The terms "first", "second", etc. in the specification and claims of the present application are used to distinguish similar objects, and are not used to describe a specific order or sequence. It should be understood that the data used in this way can be interchangeable under appropriate circumstances, so that the embodiments of the present application can be implemented in an order other than those illustrated or described here, and the objects distinguished by "first", "second", etc. are generally of one type, and the number of objects is not limited. For example, the first object can be one or more. In addition, "and / or" in the specification and claims represents at least one of the connected objects, and the character " / " generally indicates that the objects associated with each other are in an "or" relationship.

[0068] The following, in conjunction with the accompanying drawings, describes in detail the intelligent detection method for drug ingredients and drug quality provided by the embodiment of the present application through specific embodiments and their application scenarios.

[0069] Embodiment 1

[0070] Figure 1 Schematic diagram of the process of the intelligent detection method of drug ingredients and drug quality provided in Example 1 of the present application. Figure 1 As shown, the specific steps include:

[0071] S101, obtaining a drug sample solution and a control drug solution, 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.

[0072] First of all, the usage scenario of this solution can be to perform HPLC analysis on drug sample solutions and control drug solutions, and continuously adjust the operating parameters of the HPLC 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 inspection scenario.

[0073] Based on the above usage scenarios, it can be understood that the executor of this application can be an intelligent detection system for drug ingredients and drug quality, and no excessive limitations are made here.

[0074] The drug sample solution can be prepared by dissolving the drug sample to be tested in a suitable solvent to form a solution that can be injected into a high performance liquid chromatography system for analysis.

[0075] The control drug solution can be a standard drug solution of known composition and concentration, which is used for comparison with the drug sample solution to help determine the content and purity of the components in the sample.

[0076] The high performance liquid chromatography analysis system can be an instrument for separating, identifying and quantitatively analyzing the components in a mixture, and can specifically include a pump to provide high pressure solvent flow. An injector to inject the sample solution into the chromatography system. A chromatographic column filled with a stationary phase to separate different components in the sample. A detector to detect the components passing through the chromatographic column. A data processing system to record and analyze the signal output by the detector to generate a chromatogram.

[0077] The drug sample can be dissolved in a suitable solvent using an automated sample preparation workstation. The automated system can handle multiple samples, prepare standard and control solutions, and perform filtration and transfer to sample bottles. The sample management system is used to record detailed information for each sample, such as sample number, concentration, solvent, and preparation time, and to 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 can be preset each time to ensure consistency and accuracy. Initial run parameters such as flow rate, gradient program, and column temperature can be preset and entered into the HPLC analysis system control software. The control software starts and monitors the entire HPLC analysis system analysis process, including solvent pumping, sample injection, column separation, and detector data acquisition. The detector continuously monitors the column effluent and generates a chromatogram. The data acquisition system records the chromatogram data in real time, including retention time, peak height, and peak area.

[0078] S102, continuously obtaining the reference drug chromatogram output by the high performance liquid chromatography analysis system, and continuously inputting the reference 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.

[0079] A reference drug chromatogram can be a chromatogram obtained by analyzing a reference drug, i.e., a standard drug of known composition and properties, on a high performance liquid chromatography 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 reference drug chromatogram 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 to determine the optimal operating parameters of the HPLC analysis system. The model uses the input control drug chromatogram data to evaluate the effect of the current operating parameters and determine whether adjustments are needed to optimize the separation effect.

[0081] Running parameters can be settings that control the operation of the HPLC system. Specifically, they can include flow rate, which is the speed at which the mobile phase passes through the column. Gradient program, which is the program by which the composition of the mobile phase changes over time. Column temperature, which is the temperature of the column. Injection volume, which is the volume of sample injected into the system. Detection wavelength, which is the wavelength at which the detector measures the peaks.

[0082] The HPLC analysis system runs continuously to analyze the control drugs. The detector can collect chromatographic data in real time to generate a chromatogram of the control drugs. The data processing software extracts the data of the chromatogram of the control drugs, specifically, the 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 control drugs and compare it with the historical preset control drug chromatograms. The differences in key parameters are calculated, specifically, the retention time difference, peak height difference, and peak area difference. According to the preset thresholds, specifically, the retention time difference threshold, the height difference threshold, and the area difference threshold, it is evaluated whether the operating parameters of the current HPLC analysis system need to be adjusted.

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

[0084] 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;

[0085] 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;

[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] 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;

[0088] 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.

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

[0090] The historical control drug chromatogram can be a standard drug chromatogram recorded in the past, which serves as a benchmark for historical comparison.

[0091] The historical preset control drug chromatogram may be an ideal control drug chromatogram preset in the past, which is used to evaluate the adjustment effect.

[0092] The historical adjustment parameters may be the parameters that have been specifically adjusted on the high performance liquid chromatography analysis system in the historical adjustment records, such as flow rate and temperature.

[0093] The historical parameter adjustment range may 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 control drug chromatogram.

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

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

[0097] The data set may contain all relevant historical data, including adjustment parameters, adjustment ranges, retention time, peak height, peak area, etc., for training parameter optimization models.

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

[0099] The historical adjustment records can be extracted from the high performance liquid chromatography analysis system log or database, and the relevant chromatograms can be extracted from the historical data of the system, and the specific parameters and 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 are extracted from the historical control drug chromatograms and the historical preset control drug chromatograms. 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 are calculated respectively. All relevant data are integrated into a data set, including adjustment parameters, adjustment ranges, retention time, peak height, peak area and their differences. Using the above created data set, a machine learning model, such as linear regression, decision tree, etc., is constructed. The model is trained using the data set 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, the use of a large amount of historical data for parameter optimization model training can make the adjustment process more scientific and accurate, reducing subjectivity and randomness. Through automated calculation and analysis, errors that may be caused by human operation are avoided, and the reliability of the analysis results is improved.

[0101] On the basis of the above technical solution, optionally, 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:

[0102] 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;

[0103] 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;

[0104] 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;

[0105] 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;

[0106] The parameter optimization model is retrained according to the data set until the parameter optimization model reaches a preset model training standard.

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

[0108] A time interval can be set, for example, to update the model every 6 months or 1 year. Through a system timer or timestamp, real-time monitoring is performed to determine whether the current time reaches the preset update time. Then, the historical adjustment records of the high-performance liquid chromatography analysis system are retrieved. Specifically, the historical adjustment records of the high-performance liquid chromatography system can be ensured to be stored in an accessible database. A program is written to extract the historical adjustment records from the database, including all relevant parameters and adjustment ranges. Then, the extracted historical adjustment records are parsed to identify the specific parameters and ranges of each adjustment. All historical adjustment parameters are summarized to form a complete adjustment record data set. Chromatographic peak data of historical control drug chromatograms and historical preset control drug chromatograms are extracted from the historical data. The first historical retention time, the first historical height, the first historical area, and the second historical retention time, the second historical height, and the second historical area of ​​each chromatographic peak are calculated. Then, the historical difference is recalculated. Specifically, the difference between the first historical retention time and the second historical retention time can be calculated. The difference between the first historical height and the second historical height can be recalculated. The difference between the first historical area and the second historical area can be recalculated. Then, all historical adjustment parameters, adjustment ranges, historical retention times, historical heights, historical areas, and their differences are summarized into a new data set. 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 standards.

[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 characteristics. Regularly updating the model can ensure that the model is trained based on the latest data, thereby maintaining high accuracy and reliability.

[0110] S103, if it is necessary to adjust the operating parameters of the HPLC analysis system, 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.

[0111] The run parameter adjustment information may be specific adjustment suggestions generated by the parameter optimization model, including which parameters need to be adjusted and the specific adjustment range or value. Specifically, it may include flow rate, which adjusts the speed at which the mobile phase passes through the chromatographic column. Gradient program, which modifies the program that changes the composition of the mobile phase over time. Column temperature, which adjusts the temperature of the chromatographic column. Injection volume, which adjusts the sample volume injected into the system. Detection wavelength, which modifies the wavelength used by the detector to measure the peak.

[0112] A complete drug sample chromatogram may be a chromatogram obtained by analyzing a drug sample solution through a high performance liquid chromatography analysis system, showing the retention time, peak height, and peak area of ​​all components in the sample.

[0113] The complete reference drug chromatogram may be a chromatogram obtained by analyzing a reference drug solution using a high performance liquid chromatography analysis system, showing 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 difference with the preset threshold value. If the difference exceeds the threshold value, the parameter adjustment is required. If the operating parameters of the HPLC analysis system need to be adjusted, based on the analysis of historical data, the established machine learning model can identify which operating parameter changes 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 effect of historical adjustments, the model will give an operating parameter adjustment information. Then the HPLC analysis system control software receives the adjustment suggestions of the parameter optimization model and automatically adjusts the operating parameters of the HPLC analysis system according to the suggestions, such as adjusting the flow rate, changing the gradient program, and modifying the column temperature. After the adjustment, the HPLC analysis system is re-run to generate a new drug sample chromatogram and a control drug chromatogram. The new control drug chromatogram data is input into the parameter optimization model again, and the above steps are repeated until the parameter optimization is completed, and a complete drug sample chromatogram and a complete control drug chromatogram are obtained. For example, the retention time of the control drug chromatogram is 5.2min, the peak height is 1200mAU, and the area is 3000mAU*min. The preset retention time of the control sample chromatogram is 5.0min, the peak height is 1000mAU, and the area is 2800mAU*min. After calculating the difference, the retention time difference is 0.2min, the peak height difference is 200mAU, and the area difference is 200mAU*min. Then the difference evaluation is performed, and the preset thresholds are: the retention time difference threshold is 0.1min, the peak height difference threshold is 100mAU, and the area difference threshold is 100mAU*min. If the retention time difference exceeds the threshold, it needs to be adjusted. Then an adjustment suggestion is generated, where the adjustment parameter is the flow rate, and the adjustment range is 1.0mL / min to 1.1mL / min. The specific suggestion is to adjust the flow rate from 1.0mL / min to 1.05mL / min.

[0115] On the basis of the above technical solution, optionally, if it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system, the operating parameter adjustment information is continuously determined by a preset parameter optimization model:

[0116] 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;

[0117] The operating parameter adjustment information is determined according to the target adjustment parameter and the parameter adjustment range.

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

[0119] The parameter adjustment range may be a range within which each determined target adjustment parameter can be adjusted, such as an adjustment percentage or an absolute value range.

[0120] According to the specific analysis requirements and the set thresholds, it can be determined which parameters need to be adjusted. 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, the injection volume, detector sensitivity or chromatographic column temperature and other parameters can be adjusted. If the first peak area difference exceeds the preset area difference threshold, the injection volume, solvent flow rate or detector gain and other parameters can be adjusted. Then, using the historical control drug chromatogram data, analyze the effects of different parameters, such as liquid phase flow rate, gradient program, injection volume, detector sensitivity and chromatographic column temperature, on the retention time, peak height and peak area of ​​the chromatographic peak. Determine the degree and direction of the effects of different parameter adjustments on the retention time, peak height and peak area. Based on historical data, train the parameter optimization model to predict the effect of each parameter adjustment on the analysis results, and then determine the parameter adjustment range, such as maximizing the effect of parameter adjustment while ensuring the accuracy of the analysis results.

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

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

[0123] S104, determining drug component information of the sample drug based on the complete drug sample chromatogram and the complete control drug chromatogram.

[0124] Drug ingredient information may include ingredient names, compound names or chemical identifiers. Concentration: The concentration of each ingredient in the sample.

[0125] A complete drug sample chromatogram and a complete reference drug chromatogram can be obtained. Specifically, the sample chromatogram can be obtained by analyzing the drug sample solution through high-performance liquid chromatography. The reference chromatogram can be obtained by analyzing the reference drug solution of known composition and concentration through high-performance liquid chromatography. The chromatogram of the reference drug. Then use the chromatographic 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 peak. According to the known components in the reference chromatogram, determine the component name of each peak in the sample chromatogram. Then calculate the area of ​​each component peak through the chromatographic software. Specifically, the peak area in the reference drug chromatogram and the known concentration can be used to establish a standard curve, with the concentration as the Y axis and the peak area as 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 component name.

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

[0127] The 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. The content of the impurity, the concentration of the impurity in the sample.

[0128] The various components in the sample can be separated by a high performance liquid chromatography analysis system, and the impurity peaks can be identified and collected. The collected impurity peaks can be directly introduced into a mass spectrometer for analysis to obtain a mass spectrum of the impurity peaks. The impurity peaks are subjected to mass spectrometry analysis by a mass spectrometer to obtain a mass spectrum. The molecular weight of the impurity is determined by the mass spectrum, and the molecular structure of the impurity is inferred based on the mass spectrum fragment information. The mass spectrum data is matched with the mass spectrum database to confirm the chemical name and molecular structure of the impurity. According to the determined impurity components, an impurity standard solution of known concentration is prepared. The standard solution is subjected to mass spectrometry analysis to obtain a mass spectrum of the standard solution and a standard curve is drawn. The area of ​​the impurity peak in the sample is substituted into the standard curve to calculate the concentration of the impurity in the sample. The impurity component information is determined based on the chemical name, molecular structure, relative molecular mass and impurity content.

[0129] On the basis of the above technical solution, optionally, a mass spectrometry analysis is performed on the complete drug sample chromatogram to determine the impurity component information of the sample drug, including:

[0130] Performing mass spectrometry analysis on the impurity peak to obtain a first mass spectrum of the impurity peak;

[0131] Determining the molecular structure, relative molecular mass and chemical name of the impurity according to the mass spectrum and a preset mass spectrum database;

[0132] 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;

[0133] 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;

[0134] The impurity component information of the sample drug is determined based on the molecular structure, relative molecular mass, chemical name and impurity concentration information.

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

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

[0137] The molecular structure can be the chemical formula of the impurity determined based on the comparison result of the first mass spectrum and the mass spectrum database.

[0138] The relative molecular mass may be the molecular weight of the impurity determined based on the comparison result of the first mass spectrum and the mass spectrum database.

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

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

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

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

[0143] A mass spectrometer can be used to perform mass spectrometry on the impurity peak to obtain its mass spectrum. The mass spectrum shows the molecular ion peak and fragment peak of the compound, which can be used to infer its possible chemical structure. The first mass spectrum is compared with a preset mass spectrum database. The mass spectrum database contains a large amount of mass spectrum information of known compounds, and the molecular structure and relative molecular mass of the impurity can be determined by comparison. According to the determined molecular structure and relative molecular mass, at least two impurity standard solutions of different concentrations are prepared. These solutions are used for subsequent mass spectrometry analysis and quantitative analysis. Mass spectrometry analysis is performed on each impurity standard solution to obtain a 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. The first mass spectrum is then compared and analyzed with the second mass spectrum of each impurity standard solution. Specifically, the relative intensities of the molecular ion peak and possible fragment peak of the target impurity in the first mass spectrum and the second mass spectrum can be compared. This can help confirm the presence of the target impurity and determine its relative concentration. Compare other features in the mass spectrum, such as the appearance and relative position of the fragment peak. Matching these features helps to confirm the mass spectral behavior of the impurity, especially the changes at different concentrations. Determine the mass spectral characteristics that meet the target impurity standard solution based on the comparison results. Features that appear similar in the first mass spectrum and the second mass spectrum can be selected to ensure that the selected standard solution can accurately reflect the mass spectral characteristics and concentration of the target impurity. The known concentration of the target impurity standard solution is used as the impurity concentration information. This 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 later. After determining the molecular structure, relative molecular mass and impurity concentration information, the molecular structure, relative molecular mass and impurity concentration information are combined into the impurity component information of the sample drug.

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

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

[0146] 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;

[0147] 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;

[0148] 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.

[0149] In this scheme, in a mass spectrum, a mass peak may represent an ion signal with a specific mass-to-charge ratio, representing the presence of a compound or ion.

[0150] In the first mass spectrum, the area of ​​each mass spectrum peak may refer to the area under the peak, which reflects the relative abundance or concentration of each mass spectrum peak.

[0151] In the second mass spectrum, it also refers to the area under each mass spectrum peak, which is used for comparison with the corresponding peak in the first mass spectrum.

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

[0153] The preset mass spectrum peak area ratio range can be a reasonable mass spectrum peak area ratio range set for each impurity. This range can be determined based on experimental conditions, mass spectrometer performance and previous verification data, reflecting the variation range of impurities in different standard solutions.

[0154] The target mass spectrum peak can be determined as the target mass spectrum peak based on the second mass spectrum peak whose mass spectrum peak area ratio is within a preset range, which means that the mass spectrum characteristics of the peak in the measured impurity standard solution match the target impurity in the sample.

[0155] The target impurity standard solution can be a standard solution containing a target mass spectrum peak and is identified as a target impurity standard solution. These solutions will be used as reference substances in subsequent analysis to quantify and verify the presence and concentration of impurities in the sample.

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

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

[0158] S106, determining whether the sample drug meets the preset drug quality evaluation standard based on the drug component information and the impurity component information; if the sample drug meets the preset drug quality evaluation standard, determining that the sample drug passes the quality inspection.

[0159] The preset drug quality evaluation standards may refer to specific standards and specifications used to evaluate drug quality, including drug ingredient content standards, which specify the allowable concentration range of active ingredients and major excipients in drugs. Impurity limit standards specify the upper limit of the allowable concentration of various impurities in drugs, such as organic impurities, inorganic impurities, and solvent residues.

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

[0161] The technical solution provided in this embodiment is to obtain a drug sample solution and a control drug solution, 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; 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; 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; 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, and if the sample drug meets the preset drug quality evaluation standard, determine that the sample drug passes the quality inspection. Through the above-mentioned intelligent detection method of drug ingredients and drug quality, through the automated operation of the high-performance liquid chromatography analysis system and parameter optimization model, manual operation time and human errors can be reduced, and 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] On the basis of 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 has failed the quality inspection and a quality inspection failure information is sent to the control center.

[0164] In this solution, the quality inspection failure information may include sample information, including sample drug identification information, such as batch number and sample number, etc. The quality inspection results clearly indicate the specific quality evaluation criteria that the sample failed, such as specific content determination, impurity limits, and quality control parameters, etc. The problem description describes the specific reasons why the sample failed, which may include details or abnormalities of the analytical results not meeting the standards.

[0165] The detailed information of quality inspection failure can be recorded, including specific test data and any abnormal conditions in the analysis process. The quality inspection failure information is sent to the control center through wireless communication technology.

[0166] In this scheme, through the information of quality inspection failure, problems in the quality assessment of sample drugs or situations that do not meet the preset standards can be discovered in time, which helps to take corrective measures early.

[0167] Embodiment 2

[0168] Figure 2 is a flow chart of the intelligent detection method for drug ingredients and drug quality provided in Example 2 of the present application, such as Figure 2 As shown, the specific method includes the following steps:

[0169] S201, obtaining a drug sample solution and a control drug solution, 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.

[0170] S202, continuously acquiring the control drug chromatogram output by the high performance liquid chromatography analysis system, continuously inputting the control drug chromatogram into a preset parameter optimization model, and obtaining the first retention time, first height and first area of ​​each chromatographic peak of the control drug chromatogram.

[0171] Chromatographic peaks can refer to the peak signals detected by the detector after the 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 a compound entering the chromatographic column to being detected by the detector in the chromatogram of the reference drug. Different compounds have different affinities with the stationary phase and stay in the chromatographic column for different times, thus having different retention times.

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

[0174] The first area may be the area under the chromatographic peak in the control drug chromatogram, which is the sum of all signals within the peak expressed by integrating the peak area.

[0175] The HPLC system can start analyzing the sample and acquire chromatograms of the reference drug through the detector. These chromatograms will show the peaks of different compounds. The chromatograms of the reference drug acquired continuously can be input into a preset parameter optimization model. This model will analyze the first retention time, first height and first area of ​​each chromatographic peak.

[0176] S203, 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.

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

[0178] The second retention time may refer to the retention time of a specific compound or component in a preset reference drug chromatogram. 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 may refer to the peak height of a specific chromatographic peak in a preset reference drug chromatogram, which indicates the maximum height of the chromatographic peak reached during the detection of the detector.

[0180] The second area may refer to the area under a specific chromatographic peak in a preset control drug chromatogram, which is calculated by integrating the peak shape 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 may include parameters such as the retention time, peak height and peak area of ​​each chromatographic peak. Based on the standard drug data, a preset reference drug chromatogram is generated. Specifically, this can be completed through data processing software or professional analysis tools to ensure the accuracy of the graphics and parameters. Parameters such as the second retention time, second height and second area of ​​each chromatographic peak are extracted from the generated preset reference drug chromatogram. These parameters are the reference standards in subsequent analysis.

[0182] S204, calculating 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 peaks in the control drug chromatogram and the preset control drug chromatogram through a preset parameter optimization model.

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

[0184] The first height difference may refer to the difference between the peak height of the corresponding chromatographic peak in the reference drug chromatogram and the peak height of the same chromatographic peak in the preset reference 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 may represent the difference between the peak area of ​​the corresponding chromatographic peak in the reference drug chromatogram and the peak area of ​​the same chromatographic peak in the preset reference drug chromatogram. The peak area difference is the difference in the integrated area under the peak, reflecting the difference in concentration or amount between the two to some extent.

[0186] A preset parameter optimization model can be used to compare 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 to calculate the difference, that is, subtract the preset value from the actual measured value to obtain the first retention time difference, the first height difference and the first area difference.

[0187] S205, 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, the preset retention time difference threshold, the preset height difference threshold, and the preset area difference threshold through a preset parameter optimization model.

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

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

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

[0191] The calculated first retention time difference, first height difference and first area difference can be compared with the preset retention time difference threshold, height difference threshold and area difference threshold, respectively. If any difference exceeds the corresponding threshold, it means 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 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.

[0193] S207, determining drug component information of the sample drug based on the complete drug sample chromatogram and the complete control drug chromatogram.

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

[0195] S209, determining whether the sample drug meets the preset drug quality evaluation standard based on the drug component information and the impurity component information; if the sample drug meets the preset drug quality evaluation standard, determining that the sample drug passes the quality inspection.

[0196] In this embodiment, by continuously inputting the chromatogram of the control drug 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 changes in the analysis process and respond in a timely manner to ensure that the analysis results are more accurate and reliable, thereby improving the accuracy and consistency of the sample drug component analysis.

[0197] Embodiment 3

[0198] Figure 3 is a flow chart of the intelligent detection method for drug ingredients and drug quality provided in Example 3 of the present application, such as Figure 3 As shown, the specific method includes the following steps:

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

[0200] The complete drug sample chromatogram may be a complete chromatogram of the drug sample obtained by a high performance liquid chromatography analysis system, which includes information such as 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 drug sample chromatogram. In chromatography, the retention time is the time interval from a specific compound entering the chromatographic column to appearing in the detector, usually in minutes or seconds.

[0202] The third height may be the peak height of any chromatographic peak in the complete drug sample chromatogram. 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 drug sample chromatogram. The peak area is the integrated area under the peak, which can be the area from the peak bottom to the peak top.

[0204] The drug sample solution and the control drug solution can be injected into the HPLC analysis system and the analysis program can be run to obtain a complete drug sample chromatogram. Using the chromatographic analysis software or manual analysis, identify and calibrate each chromatographic peak. Each peak represents a compound or component. For each chromatographic peak, measure its retention time, that is, the time interval from the injection of the sample to the highest point of the peak. Measure the peak height of each chromatographic peak, that is, the maximum signal intensity at the top of the peak. 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, determining the fourth retention time, fourth height and fourth area of ​​each chromatographic peak of the complete control drug chromatogram.

[0206] The complete reference drug chromatogram may be a complete chromatogram of a reference sample obtained by a high performance liquid chromatography analysis system, which includes information such as 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 reference drug chromatogram. In chromatography, the retention time is the time interval from a specific compound entering the chromatographic column to appearing in the detector, usually in minutes or seconds.

[0208] The fourth height may be the peak height of any chromatographic peak in the complete control drug chromatogram. 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 control drug chromatogram. The peak area is the integrated area under the peak, which can be the area from the peak bottom to the peak top.

[0210] The drug sample solution and the control drug solution can be injected into the HPLC analysis system and the analysis program can be run to obtain a complete control drug chromatogram. Using the chromatographic analysis software or manual analysis, identify and calibrate each chromatographic peak. Each peak represents a compound or component. For each chromatographic peak, measure its retention time, that is, the time interval from the injection of the sample to the highest point of the peak. Measure the peak height of each chromatographic peak, that is, the maximum signal intensity at the top of the peak. 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, calculating 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 control drug chromatogram, and dividing each chromatographic peak in the complete drug sample chromatogram into drug peaks, impurity peaks and internal standard peaks according to the second retention time difference and a preset retention time difference range; 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 degree of deviation in retention time between the drug sample and the reference drug.

[0213] The preset retention time difference range can be different for drug peaks, impurity peaks and internal standard peaks. Specifically, the retention time difference range of drug peaks can be set more strictly, for example, between 0.1 and 0.2 minutes. Impurity peaks can be set between 0.2 and 0.5 minutes, so that impurities present in some samples can be tolerated without significantly affecting the analysis results. The internal standard peak 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 peak is as small as possible, thereby reducing the error of quantitative analysis.

[0214] The drug peak can be the chromatographic peak formed by the main compound or target component in the drug sample.

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

[0216] The internal standard peak can be used as a chromatographic peak formed by a reference substance for quantitative analysis, which is specific to the internal standard in the analytical process.

[0217] The complete drug sample chromatogram and the complete control drug chromatogram can be obtained to calculate the second retention time difference of each chromatographic peak, 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 control drug chromatogram. According to the preset retention time difference range, each chromatographic peak is classified as a drug peak if the difference is within the preset range of the 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, determining the drug components of the sample drug according to the drug peak and a preset control drug chromatogram; wherein the type of drug components is at least one.

[0219] Pharmaceutical ingredients can be the effective ingredients contained in the drug. These ingredients are the main substances that make the drug work. Specifically, they can be the main active ingredients of the drug, which are usually substances that have a therapeutic effect on diseases or symptoms.

[0220] After the drug peak is determined, 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. The drug component corresponding to this drug peak is determined to be component A. Repeat the above steps to determine all qualified drug components in the sample.

[0221] S305, 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.

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

[0223] The area ratio may 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 height and area of ​​the drug peak and the internal standard peak. Based on the measurement results, the height ratio of the third height of the drug peak to the third height of the internal standard peak is calculated:

[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, obtaining the drug component curve of each drug component corresponding to each drug peak and the internal standard concentration of the experimental internal standard, and determining 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 composition curve can be a plotted curve that shows the relationship between the peak height or area of ​​the drug and its concentration. Experiments can be conducted using a series of standard samples of known concentrations, and their peak heights or areas can be measured and plotted into a curve.

[0230] An experimental internal standard can be a known concentration of an internal standard added to the sample during the experiment to correct for variability and errors in the analytical 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] Drug content can refer to the specific concentration or amount of each drug component in a sample.

[0233] A series of standard samples of known concentrations can be prepared in advance, and analyzed by a high-performance liquid chromatography analysis system. The drug peak height and area at each concentration are recorded, and a curve of the relationship between the drug peak height or area and its concentration is drawn to obtain a drug component curve. The drug component curve and the internal standard concentration of the corresponding experimental internal standard in the standard sample are stored in a database. Then, the drug component curve of each drug component corresponding to each drug peak and the internal standard concentration of the experimental internal standard are obtained from the database, and the drug component curve response factor is obtained. The drug component curve response factor represents the response ratio of the target compound and the internal standard. The calculated height ratio and area ratio are substituted 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] The purpose of using height ratio and area ratio to calculate drug content is to verify the consistency of the calculation results.

[0236] S307, determining drug component information of the sample drug according to the drug components and the drug content.

[0237] After the drug ingredients and drug content are determined, the drug ingredients and drug content can be combined to obtain drug ingredient information of the sample drug.

[0238] In this embodiment, by 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, thereby accurately calculating the drug content and improving the accuracy and reliability of the analysis results.

[0239] Embodiment 4

[0240] Figure 4 is a schematic diagram of the structure of an intelligent detection system for drug ingredients and drug quality provided in Example 4 of the present application, such as Figure 4 As shown, the system is used to implement an intelligent detection system method for drug ingredients and drug quality provided in embodiments 1, 2, and 3, and the system specifically includes the following:

[0241] The 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 the 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;

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

[0243] The operating parameter adjustment module 403 is used to continuously determine the operating parameter adjustment information through the 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;

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

[0245] The 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] The drug quality evaluation module 406 is used to determine whether the sample drug meets the preset drug quality evaluation standard based on the drug component information and impurity component information. If the sample drug meets the preset drug quality evaluation standard, it is determined that the sample drug has passed 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 the 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 the 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, and 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; the operating parameter adjustment module is used to continuously determine the operating parameters through the preset parameter optimization model if the operating parameters of the high performance liquid chromatography analysis system need to be adjusted. The 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 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 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-mentioned intelligent detection system for drug components and drug quality, through the automated operation 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 and the preset chromatogram, the operation parameters are continuously optimized, and the analysis results can be made more accurate and stable.

[0248] The above are only preferred embodiments of the present application and the technical principles used. The present application is not limited to the specific embodiments described herein, and various obvious changes, readjustments and substitutions that can be made by those skilled in the art will not deviate from the scope of protection of the present application. Therefore, although the present application is described in more detail through the above embodiments, the present application is not limited to the above embodiments, and may include more other equivalent embodiments without departing from the concept of the present application, 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 the chromatogram of the control drug output by the high performance liquid chromatography analysis system, and continuously inputting the chromatogram of the control drug 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 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: Continuously input the reference drug chromatogram into the preset parameter optimization model to determine whether the operating parameters of the HPLC analysis system need to be adjusted, including: 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; Whether it is necessary to adjust the operating parameters of the high performance liquid chromatography analysis system is determined through a 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.

3. The intelligent detection method for drug ingredients and drug quality according to claim 2 is 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.

4. 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.

5. The intelligent detection method for drug ingredients and drug quality according to claim 4, 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.

6. The intelligent detection method for drug ingredients and drug quality according to claim 5, 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.

7. 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.

8. 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.

9. The intelligent detection method for drug ingredients and drug quality according to claim 8, 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.

10. 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; A chromatogram analysis module is used to continuously obtain the chromatogram of the control drug output by the high-performance liquid chromatography analysis system, and continuously input the chromatogram of the control drug into a preset parameter optimization model to determine whether the operating parameters of the high-performance liquid chromatography analysis system need to be adjusted; 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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