Chiral modification performance prediction method and device, equipment, storage medium and program product
Through the chiral modification performance prediction method, after obtaining the demand information of quantum dots, the chiral modification process and performance are predicted, which solves the problem of time-consuming and labor-consuming traditional methods, and realizes rapid screening of suitable solutions and reduces costs.
Patent Information
- Application Number
- CN202411660376.5
- Authority / Receiving Office
- CN · China
- Patent Type
- Applications(China)
- Current Assignee / Owner
- Filing Date
- 2024-11-20
- Publication Date
- 2025-03-14
AI Technical Summary
The traditional performance detection method of chiral modification quantum dots consumes a lot of manpower and material resources, and it is long and costly, making it difficult to quickly screen out chiral modification processing solutions that meet actual needs.
A chiral modification performance prediction method is provided. By obtaining the quantum dot demand information, chiral molecular demand information and synthetic path demand information of the quantum dot to be modified, the chiral modification process is predicted, the target chiral quantum dot and its performance prediction value is determined, and the prediction accuracy is improved through the optimization model.
This method can automatically simulate and predict the performance of a variety of chiral modification processing solutions in a shorter time, helping users quickly screen out chiral modification processing solutions that meet their needs, effectively saving manpower and material resources, shortening design time and reducing costs.
Smart Images
Figure CN119626373A_ABST
Abstract
Description
Technical Field
[0001] The present application relates to the technical field of quantum dot surface modification, and in particular to a method, device, computer equipment, computer-readable storage medium and computer program product for predicting chiral modification performance. Background Art
[0002] Quantum dots have advantages such as high fluorescence quantum yield, good chemical stability and adjustable emission wavelength, but their lack of selectivity and insufficient biological stability have limited their applications in bioimaging, optoelectronic devices, biomarkers, environmental monitoring and pollutant treatment. Chiral modification of quantum dots can overcome the above defects and give them chiral optical activity, enabling them to perform highly selective detection of specific chiral molecules and improve the sensitivity and accuracy of detection.
[0003] In traditional technology, whether a chiral modification processing scheme is feasible usually depends on the performance of the obtained chiral quantum dots, and the performance testing of chiral quantum dots mainly relies on chemical synthesis and screening. That is, firstly, a variety of test schemes are formulated through complex experimental designs, and then the performance is verified and the test schemes are debugged one by one in the laboratory, and finally the chiral modification processing scheme that meets the actual needs is screened out.
[0004] However, traditional methods usually require a lot of manpower and material resources, take a long time, and require a large number of comparative experiments, and perform performance tests on each chiral modification processing scheme one by one, which is costly. Summary of the invention
[0005] Based on this, it is necessary to provide a chiral modification performance prediction method, device, computer equipment, computer-readable storage medium and computer program product that can reduce the cost of chiral modification of quantum dots in response to the above technical problems.
[0006] In a first aspect, the present application provides a method for predicting chiral modification performance, comprising:
[0007] Obtaining the quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information of the quantum dots to be modified;
[0008] Based on the quantum dot demand information, chiral molecule demand information and synthesis route demand information, the chiral modification process of the quantum dots to be modified is predicted, the target chiral quantum dots obtained after chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots are determined.
[0009] In one embodiment, the prediction process of the chiral modification process of the quantum dot to be modified is performed by a chiral modification performance prediction model, which includes a prediction layer and an output layer; based on the quantum dot requirement information, the chiral molecule requirement information, and the synthesis path requirement information, the chiral modification process of the quantum dot to be modified is predicted, and the target chiral quantum dot obtained after the chiral modification and the target chiral modification performance prediction value of the target chiral quantum dot are determined, including:
[0010] Through the prediction layer, based on the quantum dot demand information, chiral molecule demand information and synthesis path demand information, multiple chiral modification processes of the quantum dots to be modified are predicted, and the chiral quantum dots obtained after each chiral modification process is chirally modified on the quantum dots to be modified, as well as the predicted value of the chiral modification performance of each chiral quantum dot, are determined;
[0011] Through the output layer, a target chiral modification performance prediction value that meets the preset chiral modification performance condition is detected from each chiral modification performance prediction value, and the chiral quantum dot corresponding to the target chiral modification performance prediction value is determined as the target chiral quantum dot.
[0012] In one embodiment, based on the quantum dot demand information, the chiral molecule demand information and the synthesis route demand information, the chiral modification process of the quantum dot to be modified is predicted, the target chiral quantum dot obtained after the chiral modification and the target chiral modification performance prediction value of the target chiral quantum dot are determined, and the method further includes:
[0013] Obtaining a measured value of the chiral modification performance of the target chiral quantum dot, wherein the measured value of the chiral modification performance is obtained by detecting the processed target chiral quantum dot using a biomarker performance detection device;
[0014] The chiral modification performance prediction model is optimized based on the predicted value of the target chiral modification performance and the measured value of the chiral modification performance.
[0015] In one embodiment, the prediction process of the chiral modification process of the quantum dots to be modified is performed by a chiral modification performance prediction model; based on the quantum dot requirement information, the chiral molecule requirement information and the synthesis path requirement information, the chiral modification process of the quantum dots to be modified is predicted, the target chiral quantum dots obtained after the chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots are determined, including:
[0016] Based on the quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information, the chiral modification process of the quantum dots to be modified is predicted, and the target chiral quantum dots obtained after the chiral modification, as well as the target processing supplementary information and the target chiral modification performance prediction value corresponding to the target chiral quantum dots are determined, wherein the target processing supplementary information includes at least one of the quantum dot supplementary information, the chiral molecule supplementary information and the synthesis route supplementary information.
[0017] In one embodiment, the quantum dot requirement information includes quantum dot property information and quantum dot modification knowledge information; obtaining the quantum dot requirement information of the quantum dot to be modified includes:
[0018] The quantum dot property information of the quantum dot to be modified is obtained, and the quantum dot modification knowledge information corresponding to the quantum dot property information is queried from a preset knowledge base, wherein the quantum dot property information includes at least one of quantum dot component information and quantum dot size information.
[0019] In one embodiment, the quantum dots to be modified include gallium sulfide quantum dots; the target chiral modification performance prediction value includes a biomarker performance prediction value, wherein the biomarker performance prediction value includes at least one of a light absorption characteristic prediction value, a chemical stability prediction value, and a targeting prediction value.
[0020] In a second aspect, the present application also provides a chiral modification performance prediction device, comprising:
[0021] An acquisition module is used to obtain the quantum dot requirement information, chiral molecule requirement information and synthesis path requirement information of the quantum dots to be modified;
[0022] The prediction module is used to predict the chiral modification process of the quantum dots to be modified based on the quantum dot demand information, chiral molecule demand information and synthesis path demand information, determine the target chiral quantum dots obtained after the chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots.
[0023] In a third aspect, the present application further provides a computer device, including a memory and a processor, wherein the memory stores a computer program, and when the processor executes the computer program, the following steps are implemented:
[0024] Obtaining the quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information of the quantum dots to be modified;
[0025] Based on the quantum dot demand information, chiral molecule demand information and synthesis route demand information, the chiral modification process of the quantum dots to be modified is predicted, the target chiral quantum dots obtained after chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots are determined.
[0026] In a fourth aspect, the present application further provides a computer-readable storage medium having a computer program stored thereon, and when the computer program is executed by a processor, the following steps are implemented:
[0027] Obtaining the quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information of the quantum dots to be modified;
[0028] Based on the quantum dot demand information, chiral molecule demand information and synthesis route demand information, the chiral modification process of the quantum dots to be modified is predicted, the target chiral quantum dots obtained after chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots are determined.
[0029] In a fifth aspect, the present application further provides a computer program product, including a computer program, which implements the following steps when executed by a processor:
[0030] Obtaining the quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information of the quantum dots to be modified;
[0031] Based on the quantum dot demand information, chiral molecule demand information and synthesis route demand information, the chiral modification process of the quantum dots to be modified is predicted, the target chiral quantum dots obtained after chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots are determined.
[0032] The above-mentioned chiral modification performance prediction method, device, computer equipment, computer-readable storage medium and computer program product obtain the quantum dot requirement information, chiral molecule requirement information and synthesis path requirement information of the quantum dots to be modified, and then predict the chiral modification process of the quantum dots to be modified based on the quantum dot requirement information, chiral molecule requirement information and synthesis path requirement information, determine the target chiral quantum dots obtained after the chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots, thereby realizing the reasoning of the chiral modification processing process for the quantum dot requirement information, chiral molecule requirement information and synthesis path requirement information, and can determine the processed target chiral quantum dots and their target chiral modification performance prediction values. By adjusting any one or more of the quantum dot requirement information, chiral molecule requirement information and synthesis path requirement information, the chiral modification performance prediction values of a variety of different chiral modification processing schemes can be obtained, so that the chiral modification processing scheme can be optimized by comparing the chiral modification performance prediction values. Compared with traditional laboratory design methods, the present application can automatically simulate and predict the performance of modified chiral quantum dots of various chiral modification processing schemes in a shorter time, thereby helping users to more quickly screen out chiral modification processing schemes that meet their actual needs, effectively saving manpower and material resources, shortening the design time of chiral modification processing schemes, and thus effectively reducing the manpower cost, resource cost and time cost of chiral modification of quantum dots. BRIEF DESCRIPTION OF THE DRAWINGS
[0033] In order to more clearly illustrate the technical solutions in the embodiments of the present application or related technologies, the drawings required for use in the embodiments of the present application or related technical descriptions will be briefly introduced below. Obviously, the drawings described below are only some embodiments of the present application. For ordinary technicians in this field, other related drawings can be obtained based on these drawings without paying creative work.
[0034] Figure 1 Schematic diagram of a method for predicting chiral modification performance in one embodiment;
[0035] Figure 2 is a schematic diagram of a process for predicting chiral modification performance in another embodiment;
[0036] Figure 3 is a structural block diagram of a chiral modification performance prediction device in one embodiment;
[0037] Figure 4 FIG. 4 is a diagram showing the internal structure of a computer device in one embodiment. DETAILED DESCRIPTION
[0038] In order to make the purpose, technical solution and advantages of the present application more clearly understood, the present application is further described in detail below in conjunction with the accompanying drawings and embodiments. It should be understood that the specific embodiments described herein are only used to explain the present application and are not used to limit the present application.
[0039] In an exemplary embodiment, Figure 1 As shown, a method for predicting chiral modification performance is provided. This embodiment uses the method applied to a terminal as an example, wherein the terminal may be, but is not limited to, various personal computers, laptops, smart phones, tablet computers, Internet of Things devices and portable wearable devices. The Internet of Things devices may be smart speakers, smart TVs, smart air conditioners, smart car devices, projection devices, etc. Portable wearable devices may be smart watches, smart bracelets, head-mounted devices, etc. The head-mounted devices may be virtual reality (VR) devices, augmented reality (AR) devices, smart glasses, etc. It is understandable that the method may also be applied to a server, and may also be applied to a system including a terminal and a server, and may be implemented through the interaction between the terminal and the server. In this embodiment, the method includes the following steps S10-S20. Among them:
[0040] Step S10, obtaining quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information of the quantum dots to be modified.
[0041] Wherein, quantum dots may refer to nanoscale semiconductor materials, and their diameter is usually between 1 and 10 nanometers. The quantum dots to be modified may refer to quantum dots that need to be surface-modified in order to expand the scope of application and improve performance. The quantum dots to be modified may be at least one of cadmium sulfide quantum dots, cadmium selenide quantum dots, copper sulfide quantum dots and gallium sulfide quantum dots.
[0042] The chiral modification processing scheme of the quantum dots to be modified may refer to the process of introducing chiral molecules or chiral structures into the surface or interior of the quantum dots to be modified by chemical methods, thereby giving them chiral optical activity. The chiral modification processing scheme of the quantum dots to be modified contains a large amount of information, and illustratively, may include at least one of a chiral modification formula and a synthesis path. The chiral modification formula may include at least one of the type, ratio, and properties of the synthetic raw materials, and the synthetic raw materials may include the quantum dots to be modified and the chiral molecules, and may also include processing aids such as solvents and catalysts required in the chiral modification process. The synthesis path may include at least one of the synthesis steps, the equipment used in each synthesis step, and the process parameters of each synthesis step.
[0043] The quantum dot requirement information may refer to information related to the quantum dots to be modified, and may include at least one of quantum dot identification information, quantum dot property information, and quantum dot modification knowledge information. The quantum dot identification information may include the name and number of the quantum dot. The quantum dot property information may refer to information about the quantum dots that have been determined in the chiral modification process that is currently required to be predicted, including at least one of quantum dot component information and quantum dot size information. The quantum dot property information may be determined according to actual processing requirements. For example, since the size and shape of the quantum dots can directly affect the chemical stability area and the rate of the catalytic reaction, the specific size or size range of the quantum dots to be modified, as well as the shape of the quantum dots to be modified, may be directly determined when the requirements for the chemical stability area and the rate of the catalytic reaction are known in the actual application scenario.
[0044] The chiral molecule demand information may refer to the relevant information about the chiral molecules required for chiral modification of the quantum dots to be modified, which can be determined before the prediction, and may include at least one of the chiral molecule configuration information and the chiral molecule binding mode information, wherein the chiral molecule type may be determined based on the configuration and naming rules of the chiral center, such as L-type, R-type, D-type, S-type, etc.; the chiral molecule binding mode may refer to the binding mode between the chiral molecule and the quantum dots to be modified, such as coordination binding, covalent bond binding, adsorption, etc.
[0045] The synthesis path requirement information may refer to the process parameters in the synthesis process of the chiral molecule and the quantum dot to be modified that can be determined before the prediction, and may include at least one of the biomarker light source conditions, biomarker temperature conditions, biomarker solvent conditions, and biomarker acidity and alkalinity conditions.
[0046] It is understandable that the above-mentioned demand information may refer to the information in the chiral modification processing scheme of the quantum dots to be modified, which can be determined according to the actual processing requirements and actual conditions, while the quantum dot information, chiral molecule information, and synthesis path information that cannot be predetermined in the chiral modification processing scheme need to be determined by reasoning during the prediction process of the chiral modification process. After predicting the chiral modification process, multiple prediction results may be obtained, and the chiral quantum dots and chiral modification performance prediction values corresponding to the multiple prediction results can be used as the target chiral quantum dots and target chiral modification performance prediction values; or, the best can be selected from the multiple prediction results, which is not limited in this embodiment.
[0047] For example, when a user has a need to design a chiral modification processing plan, the user can send to the terminal the quantum dot requirement information of the quantum dots to be modified, as well as the chiral molecule requirement information and synthesis path requirement information determined in advance based on actual conditions through information input operations; the terminal can receive the quantum dot requirement information, chiral molecule requirement information and synthesis path requirement information sent by the user.
[0048] In an exemplary embodiment, the quantum dots to be modified include gallium sulfide quantum dots; the target chiral modification performance prediction value includes a biomarker performance prediction value, wherein the biomarker performance prediction value includes at least one of a light absorption characteristic prediction value, a chemical stability prediction value, and a targeting prediction value.
[0049] Among them, gallium sulfide (GaS) quantum dots can refer to semiconductor nanoparticles composed of gallium and sulfur elements and with a size in the nanoscale range. GaS quantum dots have a high fluorescence quantum yield and can produce strong fluorescence signals at low concentrations, which is conducive to high-sensitivity detection of biomarkers. GaS also exhibits good biocompatibility in vivo and does not cause obvious toxicity and immune response, making it suitable for in vivo imaging and biological detection. In addition, by adjusting the size and composition of GaS quantum dots, precise control of their emission wavelength can be achieved, making them suitable for multi-color imaging and multiple labeling. However, when detecting a variety of biomolecules, GaS quantum dots lack selectivity for specific biomolecules and are easily interfered by other substances, affecting the accuracy of the detection results. In complex biological environments, the fluorescence properties and structural stability of GaS quantum dots may be affected, resulting in low stability and reliability of the detection signal. Chiral modification of gallium sulfide can overcome the above defects and give it chiral optical activity, such as circular dichroism and circularly polarized luminescence. These chiral optical properties enable quantum dots to respond highly sensitively to chiral biomolecules, improving the selectivity and sensitivity of detection. Chirally modified gallium sulfide can selectively detect specific chiral biomolecules through the chiral recognition mechanism, thereby being able to accurately distinguish target biomolecules in complex biological samples and avoid interference from other substances. In addition, chiral modification can improve the surface properties of gallium sulfide quantum dots, enhance their stability and anti-degradation ability in biological environments, and extend their service life in biomarkers.
[0050] Biomarker performance can refer to a series of key characteristics and capabilities exhibited by chiral quantum dots in specific biomedical applications, including at least one of light absorption properties, chemical stability and targeting.
[0051] Step S20, based on the quantum dot demand information, the chiral molecule demand information and the synthesis path demand information, predict the chiral modification process of the quantum dots to be modified, determine the target chiral quantum dots obtained after the chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots.
[0052] The chiral modification process may refer to the process of chemically modifying or transforming the quantum dots to be modified using chiral molecules at the molecular level.
[0053] For example, after obtaining the quantum dot demand information, chiral molecule demand information and synthesis path demand information, the feasible chiral modification process of the quantum dots to be modified can be inferred based on the quantum dot demand information, chiral molecule demand information and synthesis path demand information through model algorithms, digital simulations, logical reasoning programs, etc., the target chiral quantum dots obtained after chiral modification can be determined, and the target chiral modification performance prediction value of the target chiral quantum dots can be predicted.
[0054] In the above-mentioned chiral modification performance prediction method, by obtaining the quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information of the quantum dots to be modified, the chiral modification process of the quantum dots to be modified is predicted based on the quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information, and the target chiral quantum dots obtained after the chiral modification and the target chiral modification performance prediction value of the target chiral quantum dots are determined, thereby realizing the reasoning of the chiral modification processing process for the quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information, and the target chiral quantum dots obtained by processing and their target chiral modification performance prediction values can be determined. By adjusting any one or more of the quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information, the chiral modification performance prediction values of a variety of different chiral modification processing schemes can be obtained, so that the chiral modification processing scheme can be optimized by comparing the chiral modification performance prediction values. Compared with traditional laboratory design methods, the present application can automatically simulate and predict the performance of modified chiral quantum dots of various chiral modification processing schemes in a shorter time, thereby helping users to more quickly screen out chiral modification processing schemes that meet their actual needs, effectively saving manpower and material resources, shortening the design time of chiral modification processing schemes, and thus effectively reducing the manpower cost, resource cost and time cost of chiral modification of quantum dots.
[0055] In an exemplary embodiment, the prediction process of the chiral modification process of the quantum dot to be modified is performed by a chiral modification performance prediction model, which includes a prediction layer and an output layer; based on the quantum dot requirement information, the chiral molecule requirement information, and the synthesis path requirement information, the chiral modification process of the quantum dot to be modified is predicted, and the target chiral quantum dot obtained after the chiral modification and the target chiral modification performance prediction value of the target chiral quantum dot are determined, including steps S21 to S22. Wherein:
[0056] Step S21, through the prediction layer, based on the quantum dot demand information, chiral molecule demand information and synthesis path demand information, predict multiple chiral modification processes of the quantum dots to be modified, determine the chiral quantum dots obtained after each chiral modification process performs chiral modification on the quantum dots to be modified, and the predicted value of the chiral modification performance of each chiral quantum dot.
[0057] The chiral modification performance prediction model may refer to a large-scale computing model used to predict and design chiral modification processing schemes, and the large-scale computing model may be a deep learning model or a machine learning model, etc. The chiral modification performance prediction model may be trained and optimized in advance. As an example, a large amount of real quantum dot modification experimental data and chiral quantum dot performance monitoring data may be obtained in advance from major databases and laboratories, and these quantum dot modification experimental data and chiral quantum dot performance monitoring data may be used to train the large model to be trained, thereby obtaining a trained chiral modification performance prediction model.
[0058] As an example, a chiral modification performance prediction model can be obtained by fine-tuning a pre-trained large model. The fine-tuning process of the pre-trained large model includes: obtaining the pre-trained large model and the labeled data of the quantum dots to be modified, as well as the chiral modification performance label corresponding to the labeled data of the quantum dots to be modified; using the pre-trained large model, based on the labeled data of the quantum dots to be modified, predicting the chiral modification process of the quantum dots to be modified, and obtaining the chiral modification performance training prediction result; calculating the model loss based on the difference between the chiral modification performance training prediction result and the chiral modification performance label, and iteratively optimizing the pre-trained large model based on the model loss to obtain the chiral modification performance prediction model.
[0059] The prediction layer is used to infer the chiral modification process of the quantum dots to be modified with different chiral molecules and using different synthesis routes, as well as to infer the biomarker performance of the chiral quantum dots after being modified by each chiral modification process.
[0060] Exemplarily, after obtaining the quantum dot demand information, chiral molecule demand information and synthesis path demand information, the quantum dot demand information, chiral molecule demand information and synthesis path demand information can be input into the chiral modification performance prediction model, and through the prediction layer of the chiral modification performance prediction model, based on the quantum dot demand information, chiral molecule demand information and synthesis path demand information, multiple chiral modification processes feasible for the quantum dot to be modified are inferred, and the chiral quantum dot obtained after the chiral modification of the quantum dot to be modified by each chiral modification process, as well as the chiral modification performance prediction value of each chiral quantum dot are determined. It can be understood that the chiral quantum dots after modification are different due to different chiral molecules or different synthesis paths. Even if the chiral quantum dots modified by the same chiral molecule using different synthesis paths are different, due to different synthesis paths, there will still be differences in their specific structure and performance. Therefore, the chiral quantum dots corresponding to each chiral modification result are different, and the chiral modification performance prediction value may also be different.
[0061] Step S22, detecting a target chiral modification performance prediction value that meets a preset chiral modification performance condition from each chiral modification performance prediction value through the output layer, and determining the chiral quantum dot corresponding to the target chiral modification performance prediction value as the target chiral quantum dot.
[0062] Among them, the output layer is used to screen and output the chiral modification results that meet the preset biomarker performance conditions.
[0063] Exemplarily, after determining multiple chiral quantum dots and the chiral modification performance prediction value corresponding to each chiral quantum dot, the output layer can be used to select one or more chiral modification performance prediction values that meet the preset chiral modification performance conditions from the various chiral modification performance prediction values according to the chiral modification performance prediction value corresponding to each chiral quantum dot and the preset chiral modification performance conditions, and the chiral quantum dot corresponding to the target chiral modification performance prediction value is determined as the target chiral quantum dot.
[0064] In some feasible embodiments, there may be multiple predicted values of target chiral modification performance, and the number of target chiral quantum dots may also be multiple. The chiral modification performance prediction model is mainly used to infer feasible chiral modification processes and predict the biomarker performance of modified chiral quantum dots, so as to screen out better chiral modification processing schemes, that is, it is mainly used for the initial screening of chiral modification processing schemes to reduce the number of experiments in the initial screening stage, but before mass production, it still needs to be verified by experiments. Therefore, multiple chiral quantum dots with relatively good biomarker performance prediction values can be screened out, and then verified in combination with experiments, and further selected in combination with the actual situation and verification results during the experimental verification process. In this way, by combining a large model with experiments, not only can the large model be used to reduce the number of experiments in the initial screening stage, effectively reducing labor costs, resource costs and time costs, but also the quality and reliability of chiral modification can be ensured through experimental verification.
[0065] In an exemplary embodiment, Figure 2 As shown, based on the quantum dot demand information, the chiral molecule demand information and the synthesis path demand information, the chiral modification process of the quantum dot to be modified is predicted, the target chiral quantum dot obtained after the chiral modification and the target chiral modification performance prediction value of the target chiral quantum dot are determined, and steps S30 to S40 are also included. Among them:
[0066] Step S30, obtaining the measured value of the chiral modification performance of the target chiral quantum dots, wherein the measured value of the chiral modification performance is obtained by detecting the processed target chiral quantum dots by a biomarker performance detection device.
[0067] Among them, the predicted value of target chiral modification performance may refer to the chiral modification performance information of the target chiral quantum dots predicted by the Rongguang chiral modification performance prediction model, which can be predicted by the chiral modification performance prediction model based on the quantum dot demand information, chiral molecule demand information and synthesis path demand information. The measured value of chiral modification performance may refer to the chiral modification performance information obtained by testing the target chiral quantum dots actually processed through experiments, which can be obtained by relevant personnel or processing equipment based on the quantum dot demand information, chiral molecule demand information, synthesis path demand information and related information predicted by the model, and then testing the chiral modification performance information of the target chiral quantum dots actually processed.
[0068] Illustratively, after the chiral modification performance prediction model outputs the chiral modification results, relevant personnel or processing equipment actually processes the target chiral quantum dots based on the quantum dot demand information, chiral molecule demand information, synthesis path demand information, and related information predicted by the model, and then performs chiral modification performance information detection on the actually processed target chiral quantum dots to obtain the actual measured value of the chiral modification performance.
[0069] Step S40, optimizing the chiral modification performance prediction model according to the target chiral modification performance prediction value and the chiral modification performance measured value.
[0070] Exemplarily, by comparing the difference between the predicted value of the target chiral modification performance and the measured value of the chiral modification performance, the model prediction loss can be calculated based on the difference between the predicted value of the target chiral modification performance and the measured value of the chiral modification performance, and then the chiral modification performance prediction model can be optimized based on the model prediction loss by back propagation.
[0071] It is understandable that the chiral modification performance prediction model in the actual application process has been optimized, and further optimization in the actual application process can be performed after each prediction, or can be performed regularly at intervals. For example, the target chiral modification performance prediction value and the chiral modification performance measured value are collected every week or every month, and the chiral modification performance prediction model is further optimized using the data generated in the application process every week or every month.
[0072] In this embodiment, by collecting data and performing further optimization during the application of the chiral modification performance prediction model, the defect of insufficient data in the training stage can be compensated, and the model performance and the accuracy of chiral modification can be further improved.
[0073] In an exemplary embodiment, the prediction process of the chiral modification process of the quantum dot to be modified is performed by a chiral modification performance prediction model; based on the quantum dot requirement information, the chiral molecule requirement information and the synthesis path requirement information, the chiral modification process of the quantum dot to be modified is predicted, the target chiral quantum dot obtained after the chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dot are determined, including:
[0074] Based on the quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information, the chiral modification process of the quantum dots to be modified is predicted, and the target chiral quantum dots obtained after the chiral modification, as well as the target processing supplementary information and the target chiral modification performance prediction value corresponding to the target chiral quantum dots are determined, wherein the target processing supplementary information includes at least one of the quantum dot supplementary information, the chiral molecule supplementary information and the synthesis route supplementary information.
[0075] Among them, the processing supplementary information may refer to the information required to realize the chiral modification process in the chiral modification processing scheme, in addition to the quantum dot requirement information, the chiral molecule requirement information and the synthesis path requirement information, including at least one of the quantum dot supplementary information, the chiral molecule supplementary information and the synthesis path supplementary information.
[0076] Exemplarily, the chiral modification performance prediction model can be a large-scale computing model. The quantum dot demand information, chiral molecule demand information, and synthesis path demand information can be input into the chiral modification performance prediction model. Through the chiral modification performance prediction model, based on the quantum dot demand information, chiral molecule demand information, and synthesis path demand information, the multiple chiral modification processes that are feasible for the quantum dots to be modified are inferred, the target chiral quantum dots obtained by each chiral modification process are determined, the chiral modification results are obtained, and the target chiral modification performance prediction value of the target chiral quantum dots is predicted. The chiral modification performance prediction model can output the chiral modification results of each chiral modification process while outputting the target chiral quantum dots and the target chiral modification performance prediction value.
[0077] Among them, the chiral modification result may refer to all or part of the chiral modification processing scheme that can realize the chiral modification of the quantum dots to be modified. For example, the chiral modification result may be a complete chiral modification processing scheme including quantum dot requirement information, chiral molecule requirement information and synthesis path requirement information, or it may be a predicted and determined part of the chiral modification processing scheme, or it may be a user-specified output part of the chiral modification processing scheme. The specific content may be determined based on actual conditions, and this embodiment does not impose any limitation on this.
[0078] In some feasible embodiments, the chiral modification results may include: weighing 5 grams of pre-prepared quantum dots to be modified and dispersing them in 100 milliliters of deionized water, then adding 10 grams of L-lysine, and stirring at room temperature for 24 hours; obtaining pure chiral quantum dots by centrifugation and washing, and the chiral quantum dots are chiral gallium sulfide-lysine complexes.
[0079] In some feasible embodiments, the chiral modification result may include at least one of a chiral modification formula and a synthesis path. After determining the chiral modification formula and the synthesis path, the corresponding synthesis raw materials can be obtained according to the chiral modification formula, and then the synthesis raw materials are processed according to the synthesis path to perform chiral modification on the quantum dots to be modified, thereby obtaining the modified target chiral quantum dots.
[0080] In some feasible embodiments, after obtaining the chiral modification results, relevant personnel or processing equipment can perform chiral modification on the quantum dots to be modified based on the chiral modification results to obtain target chiral quantum dots.
[0081] In an exemplary embodiment, obtaining the measured value of the chiral modification performance of the target chiral quantum dot includes steps S31 to S32.
[0082] Step S31, according to the chiral modification result, controlling the chiral modification processing device to perform chiral modification processing on the quantum dots to be modified to obtain target chiral quantum dots.
[0083] Herein, the chiral modification processing device may refer to a device capable of performing chiral modification processing.
[0084] For example, after the chiral modification performance prediction model outputs the chiral modification result, the chiral modification processing device can be controlled according to the chiral modification result to perform chiral modification processing on the quantum dots to be modified to obtain target chiral quantum dots.
[0085] As an example, a chiral modification processing device may include a weighing module, a stirring module, a centrifugal module and a washing module; the chiral modification result includes a chiral modification formula and a synthesis path, and the synthesis path includes stirring process parameters, centrifugal process parameters and washing process parameters; according to the chiral modification result, the chiral modification processing device is controlled to perform chiral modification processing on the quantum dots to be modified to obtain target chiral quantum dots, including: according to the chiral modification formula, controlling the weighing module to weigh the synthetic raw materials required for the chiral modification processing, and adding them to the container of the stirring module, and then, according to the stirring process parameters, controlling the stirring module to stir the synthetic raw materials, and transferring the stirred materials to the centrifugal module, and then, according to the centrifugal process parameters, controlling the centrifugal module to centrifugally separate the materials, and then, according to the washing process parameters, controlling the washing module to wash the centrifuged materials, and the washed materials are centrifuged again through the centrifugal module to obtain target chiral quantum dots.
[0086] Step S32, controlling the biomarker performance detection device to detect the chiral modification performance information of the target chiral quantum dots, and obtaining the measured value of the chiral modification performance of the target chiral quantum dots.
[0087] Among them, the biomarker performance detection device can refer to a device that can detect chiral modification performance information.
[0088] For example, after the target chiral quantum dots are processed, the target chiral quantum dots can be transferred to a biomarker performance detection device, and the biomarker performance detection device can be controlled to detect the chiral modification performance information of the target chiral quantum dots to obtain the actual measured value of the chiral modification performance of the target chiral quantum dots.
[0089] As an example, the quantum dots to be modified include gallium sulfide quantum dots; the biomarker performance detection device may include a biomarker module and a detection module, and the detection module may include at least one of a fluorescence microscope, a flow cytometer, etc.; the biomarker performance detection device is prepared to detect the chiral modification performance information of the target chiral quantum dots to obtain the actual measured value of the chiral modification performance of the target chiral quantum dots, including: controlling the biomarker module to use the target chiral quantum dots to bind to the target biological molecules to form a complex with specific biological functions; and then controlling the detection module to detect the light absorption characteristics, chemical stability and targeting of the labeled complex.
[0090] In this embodiment, through the automated control of the chiral modification processing device and the biomarker performance detection device, the automated verification of the target chiral quantum dots can be achieved, and the verification results can be used to optimize the chiral modification performance prediction model. The optimized chiral modification performance prediction model can be used to design a better chiral modification processing plan, thereby improving both the efficiency and reliability of chiral modification.
[0091] In an exemplary embodiment, the quantum dot requirement information includes quantum dot property information and quantum dot modification knowledge information; obtaining the quantum dot requirement information of the quantum dot to be modified includes:
[0092] The quantum dot property information of the quantum dot to be modified is obtained, and the quantum dot modification knowledge information corresponding to the quantum dot property information is queried from a preset knowledge base, wherein the quantum dot property information includes at least one of quantum dot component information and quantum dot size information.
[0093] The quantum dot property information may refer to a data set describing various physical, chemical and optical properties of quantum dots, including at least one of quantum dot size information, core material information, shell material information, surface ligand information, quantum dot surface characteristic information and quantum dot crystal structure information. The quantum dot modification knowledge information may refer to information related to quantum dot property information and chiral modification queried from a preset knowledge base based on the quantum dot property information of the quantum dots to be modified. The preset knowledge base may refer to a database for storing data related to chiral modification.
[0094] In a feasible implementation, the preset knowledge base may be updated in real time or periodically, and the update may refer to querying and obtaining data from an external database to supplement or modify the data in the preset knowledge base.
[0095] In a feasible implementation, the preset knowledge base may be a knowledge graph.
[0096] Exemplarily, after obtaining the quantum dot property information of the quantum dots to be modified sent by the user, the corresponding quantum dot modification knowledge information can be queried from a preset knowledge base based on the quantum dot property information, and the quantum dot modification knowledge information and the quantum dot property information can be used as quantum dot demand information and input into the chiral modification performance prediction model for model prediction.
[0097] In this embodiment, the accuracy of chiral modification can be effectively improved by supplementing the quantum dot demand information through the knowledge base.
[0098] It should be understood that, although the steps in the flowcharts involved in the above embodiments are displayed in sequence according to the indication of the arrows, these steps are not necessarily executed in sequence according to the order indicated by the arrows. Unless there is a clear explanation in this article, the execution of these steps is not strictly limited in order, and these steps can be executed in other orders. Moreover, at least a part of the steps in the flowcharts involved in the above embodiments may include multiple steps or multiple stages, and these steps or stages are not necessarily executed at the same time, but can be executed at different times, and the execution order of these steps or stages is not necessarily carried out in sequence, but can be executed in turn or alternately with other steps or at least a part of the steps or stages in other steps.
[0099] Based on the same inventive concept, the present application also provides a chiral modification performance prediction device for implementing the chiral modification performance prediction method involved above. The implementation scheme for solving the problem provided by the device is similar to the implementation scheme recorded in the above method, so the specific limitations in one or more chiral modification performance prediction device embodiments provided below can refer to the limitations of the chiral modification performance prediction method above, and will not be repeated here.
[0100] In an exemplary embodiment, Figure 3 As shown, a chiral modification performance prediction device is provided, comprising: an acquisition module 302 and a prediction module 304, wherein:
[0101] An acquisition module 302 is used to acquire quantum dot requirement information, chiral molecule requirement information, and synthesis path requirement information of quantum dots to be modified;
[0102] The prediction module 304 is used to predict the chiral modification process of the quantum dots to be modified based on the quantum dot requirement information, the chiral molecule requirement information and the synthesis path requirement information, determine the target chiral quantum dots obtained after the chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots.
[0103] In an exemplary embodiment, the prediction process of the chiral modification process of the quantum dot to be modified is performed by a chiral modification performance prediction model; the chiral modification performance prediction model includes a prediction layer and an output layer; the prediction module 304 is also used to:
[0104] Through the prediction layer, based on the quantum dot demand information, chiral molecule demand information and synthesis path demand information, multiple chiral modification processes of the quantum dots to be modified are predicted, and the chiral quantum dots obtained after each chiral modification process is chirally modified on the quantum dots to be modified, as well as the predicted value of the chiral modification performance of each chiral quantum dot, are determined;
[0105] Through the output layer, a target chiral modification performance prediction value that meets the preset chiral modification performance condition is detected from each chiral modification performance prediction value, and the chiral quantum dot corresponding to the target chiral modification performance prediction value is determined as the target chiral quantum dot.
[0106] In an exemplary embodiment, the chiral modification performance prediction device further includes an optimization module, which predicts the chiral modification process of the quantum dots to be modified based on the quantum dot demand information, the chiral molecule demand information, and the synthesis path demand information, determines the target chiral quantum dots obtained after the chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots, and then the optimization module is used to:
[0107] Obtaining a measured value of the chiral modification performance of the target chiral quantum dot, wherein the measured value of the chiral modification performance is obtained by detecting the processed target chiral quantum dot using a biomarker performance detection device;
[0108] The chiral modification performance prediction model is optimized based on the predicted value of the target chiral modification performance and the measured value of the chiral modification performance.
[0109] In an exemplary embodiment, the prediction process of the chiral modification process of the quantum dots to be modified is performed by a chiral modification performance prediction model; the prediction module 304 is also used to:
[0110] Based on the quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information, the chiral modification process of the quantum dots to be modified is predicted, and the target chiral quantum dots obtained after the chiral modification, as well as the target processing supplementary information and the target chiral modification performance prediction value corresponding to the target chiral quantum dots are determined, wherein the target processing supplementary information includes at least one of the quantum dot supplementary information, the chiral molecule supplementary information and the synthesis route supplementary information.
[0111] In an exemplary embodiment, the quantum dot demand information includes quantum dot property information and quantum dot modification knowledge information; the acquisition module 302 is further used to:
[0112] The quantum dot property information of the quantum dot to be modified is obtained, and the quantum dot modification knowledge information corresponding to the quantum dot property information is queried from a preset knowledge base, wherein the quantum dot property information includes at least one of quantum dot component information and quantum dot size information.
[0113] Each module in the above-mentioned chiral modification property prediction device can be implemented in whole or in part by software, hardware and a combination thereof. Each of the above-mentioned modules can be embedded in or independent of a processor in a computer device in the form of hardware, or can be stored in a memory in a computer device in the form of software, so that the processor can call and execute the operations corresponding to each of the above modules.
[0114] In an exemplary embodiment, a computer device is provided. The computer device may be a terminal, and its internal structure diagram may be as shown in FIG. Figure 4As shown. The computer device includes a processor, a memory, an input / output interface, a communication interface, a display unit and an input device. Among them, the processor, the memory and the input / output interface are connected through a system bus, and the communication interface, the display unit and the input device are connected to the system bus through the input / output interface. Among them, the processor of the computer device is used to provide computing and control capabilities. The memory of the computer device includes a non-volatile storage medium and an internal memory. The non-volatile storage medium stores an operating system and a computer program. The internal memory provides an environment for the operation of the operating system and the computer program in the non-volatile storage medium. The input / output interface of the computer device is used to exchange information between the processor and the external device. The communication interface of the computer device is used to communicate with an external terminal in a wired or wireless manner, and the wireless manner can be realized through WIFI, a mobile cellular network, near field communication (Near Field Communication, NFC) or other technologies. When the computer program is executed by the processor, a method for predicting chiral modification performance is realized. The display unit of the computer device is used to form a visually visible picture, which can be a display screen, a projection device or a virtual reality imaging device. The display screen can be a liquid crystal display screen or an electronic ink display screen, and the input device of the computer device can be a touch layer covering the display screen, or a button, trackball or touchpad set on the computer device shell, or an external keyboard, touchpad or mouse.
[0115] Those skilled in the art will understand that Figure 4 The structure shown in the figure is only a block diagram of a part of the structure related to the solution of the present application, and does not constitute a limitation on the computer device to which the solution of the present application is applied. The specific computer device may include more or fewer components than those shown in the figure, or combine certain components, or have a different arrangement of components.
[0116] In one embodiment, a computer device is further provided, including a memory and a processor, wherein a computer program is stored in the memory, and the processor implements the steps in the above method embodiments when executing the computer program.
[0117] In one embodiment, a computer-readable storage medium is provided, on which a computer program is stored. When the computer program is executed by a processor, the steps in the above-mentioned method embodiments are implemented.
[0118] In one embodiment, a computer program product is provided, including a computer program, which implements the steps in the above method embodiments when executed by a processor.
[0119] It should be noted that the user information (including but not limited to user device information, user personal information, etc.) and data (including but not limited to data used for analysis, stored data, displayed data, etc.) involved in this application are all information and data authorized by the user or fully authorized by all parties, and the collection, use and processing of relevant data must comply with relevant regulations.
[0120] A person of ordinary skill in the art can understand that all or part of the processes in the above-mentioned embodiment method can be completed by instructing the relevant hardware through a computer program, and the computer program can be stored in a non-volatile computer-readable storage medium. When the computer program is executed, it can include the processes of the embodiments of the above-mentioned methods. Among them, any reference to the memory, database or other medium used in the embodiments provided in the present application can include at least one of non-volatile memory and volatile memory. Non-volatile memory can include read-only memory (ROM), magnetic tape, floppy disk, flash memory, optical memory, high-density embedded non-volatile memory, resistive random access memory (ReRAM), magnetic random access memory (MRAM), ferroelectric random access memory (FRAM), phase change memory (PCM), graphene memory, etc. Volatile memory can include random access memory (RAM) or external cache memory, etc. As an illustration and not limitation, RAM can be in various forms, such as static random access memory (SRAM) or dynamic random access memory (DRAM). The database involved in each embodiment provided in this application may include at least one of a relational database and a non-relational database. Non-relational databases may include distributed databases based on blockchains, etc., but are not limited to this. The processor involved in each embodiment provided in this application may be a general-purpose processor, a central processing unit, a graphics processor, a digital signal processor, a programmable logic device, a data processing logic device based on quantum computing, an artificial intelligence (AI) processor, etc., but are not limited to this.
[0121] The technical features of the above embodiments may be combined arbitrarily. To make the description concise, not all possible combinations of the technical features in the above embodiments are described. However, as long as there is no contradiction in the combination of these technical features, they should be considered to be within the scope of this application.
[0122] The above embodiments only express several implementation methods of the present application, and the descriptions thereof are relatively specific and detailed, but they cannot be understood as limiting the scope of the present application. It should be pointed out that, for a person of ordinary skill in the art, several variations and improvements can be made without departing from the concept of the present application, and these all belong to the protection scope of the present application. Therefore, the protection scope of the present application shall be subject to the attached claims.
Claims
1. A method for predicting chiral modification performance, characterized in that: The method comprises: Obtaining the quantum dot requirement information, chiral molecule requirement information and synthesis route requirement information of the quantum dots to be modified; Based on the quantum dot demand information, the chiral molecule demand information and the synthesis route demand information, the chiral modification process of the quantum dots to be modified is predicted, the target chiral quantum dots obtained after the chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots are determined.
2. The method according to claim 1, characterized in that The prediction process of the chiral modification process of the quantum dot to be modified is performed by a chiral modification performance prediction model, and the chiral modification performance prediction model includes a prediction layer and an output layer; the prediction of the chiral modification process of the quantum dot to be modified based on the quantum dot requirement information, the chiral molecule requirement information, and the synthesis path requirement information, determines the target chiral quantum dot obtained after the chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dot, including: Through the prediction layer, based on the quantum dot demand information, the chiral molecule demand information and the synthesis path demand information, multiple chiral modification processes of the quantum dots to be modified are predicted, and the chiral quantum dots obtained after the chiral modification of the quantum dots to be modified by each chiral modification process, as well as the predicted value of the chiral modification performance of each chiral quantum dot are determined; Through the output layer, a target chiral modification performance prediction value that meets the preset chiral modification performance condition is detected from each of the chiral modification performance prediction values, and the chiral quantum dot corresponding to the target chiral modification performance prediction value is determined as the target chiral quantum dot.
3. The method according to claim 2, characterized in that After predicting the chiral modification process of the quantum dots to be modified based on the quantum dot demand information, the chiral molecule demand information and the synthesis route demand information, determining the target chiral quantum dots obtained after the chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots, the method further includes: Obtaining a measured value of the chiral modification performance of the target chiral quantum dot, wherein the measured value of the chiral modification performance is obtained by detecting the processed target chiral quantum dot with a biomarker performance detection device; The chiral modification performance prediction model is optimized according to the target chiral modification performance prediction value and the chiral modification performance measured value.
4. The method according to claim 1, characterized in that: The prediction process of the chiral modification process of the quantum dot to be modified is performed by a chiral modification performance prediction model; the prediction of the chiral modification process of the quantum dot to be modified based on the quantum dot requirement information, the chiral molecule requirement information and the synthesis path requirement information, the target chiral quantum dot obtained after the chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dot are determined, including: Based on the quantum dot requirement information, the chiral molecule requirement information and the synthesis route requirement information, the chiral modification process of the quantum dots to be modified is predicted, and the target chiral quantum dots obtained after the chiral modification, as well as the target processing supplementary information and the target chiral modification performance prediction value corresponding to the target chiral quantum dots are determined, wherein the target processing supplementary information includes at least one of the quantum dot supplementary information, the chiral molecule supplementary information and the synthesis route supplementary information.
5. The method according to claim 1, characterized in that The quantum dot requirement information includes quantum dot property information and quantum dot modification knowledge information; the step of obtaining the quantum dot requirement information of the quantum dots to be modified includes: The quantum dot property information of the quantum dot to be modified is obtained, and the quantum dot modification knowledge information corresponding to the quantum dot property information is queried from a preset knowledge base, wherein the quantum dot property information includes at least one of quantum dot component information and quantum dot size information.
6. The method according to any one of claims 1 to 5, characterized in that: The quantum dots to be modified include gallium sulfide quantum dots; the target chiral modification performance prediction value includes a biomarker performance prediction value, wherein the biomarker performance prediction value includes at least one of a light absorption characteristic prediction value, a chemical stability prediction value and a targeting prediction value.
7. A chiral modification performance prediction device, characterized in that: The device comprises: An acquisition module is used to obtain the quantum dot requirement information, chiral molecule requirement information and synthesis path requirement information of the quantum dots to be modified; A prediction module is used to predict the chiral modification process of the quantum dots to be modified based on the quantum dot requirement information, the chiral molecule requirement information and the synthesis path requirement information, determine the target chiral quantum dots obtained after the chiral modification, and the target chiral modification performance prediction value of the target chiral quantum dots.
8. A computer device comprising a memory and a processor, wherein the memory stores a computer program, wherein: When the processor executes the computer program, the steps of the method according to any one of claims 1 to 6 are implemented.
9. A computer-readable storage medium having a computer program stored thereon, characterized in that: When the computer program is executed by a processor, the steps of the method according to any one of claims 1 to 6 are implemented.
10. A computer program product, comprising a computer program, characterized in that When the computer program is executed by a processor, the steps of the method according to any one of claims 1 to 6 are implemented.