Synthetic path prediction method and device, equipment, storage medium and program product
By predicting the chiral modification process and synthesis path of quantum dots, the high cost and long time problems in traditional methods are solved, and the rapid screening of suitable paths is achieved, reducing manpower and material consumption and time costs.
Patent Information
- Application Number
- CN202411660370.8
- 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
When traditional methods use chiral modification of quantum dots, they consume a lot of manpower, material resources and time, which is expensive, and it is difficult to quickly screen out synthetic paths that meet preset performance conditions.
A synthetic path prediction method is provided, by obtaining the quantum dot information of the quantum dot to be modified, and predicting the chiral modification process based on the quantum dot information and preset performance conditions, to determine the target chiral quantum dot information and its corresponding target synthetic path information.
This method can automatically simulate and predict the performance information of a variety of chiral modification processing schemes in a shorter time, quickly filter out the target chiral quantum dots and their synthesis paths that meet preset performance conditions, reduce the number of repeated experiments, save manpower and material resources, and reduce the cost of synthesis path design.
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Figure CN119626372A_ABST
Abstract
Description
Technical Field
[0001] The present application relates to the technical field of quantum dot surface modification, and in particular to a synthesis path prediction method, apparatus, computer equipment, computer-readable storage medium and computer program product. 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, multiple test schemes are first formulated through complex experimental designs, and then performance verification and test scheme debugging are carried out one by one in the laboratory to finally screen out the synthesis path that meets actual needs.
[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 to determine the synthetic pathway with better chiral modification effects, which is costly. Summary of the invention
[0005] Based on this, it is necessary to provide a synthesis path prediction method, device, computer equipment, computer-readable storage medium and computer program product that can reduce the cost of synthesis path design in order to address the above technical problems.
[0006] In a first aspect, the present application provides a method for predicting a synthetic pathway, comprising:
[0007] Acquire quantum dot information of the quantum dots to be modified;
[0008] Based on the quantum dot information and preset performance conditions, predict the chiral modification process of the quantum dots to be modified, determine the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information;
[0009] Among them, the target synthesis path information is used to guide the chiral modification processing of the quantum dots to be modified to obtain the target chiral quantum dots.
[0010] In one embodiment, based on the quantum dot information and the preset performance conditions, the chiral modification process of the quantum dot to be modified is predicted, and the target chiral quantum dot information that meets the preset performance conditions and the target synthesis path information corresponding to the target chiral quantum dot information are determined, including:
[0011] Obtain chiral molecule information;
[0012] Based on the quantum dot information and preset performance conditions, the chiral modification process of the quantum dots to be modified is predicted, and the target chiral quantum dot information that meets the preset performance conditions and the target synthesis path information corresponding to the target chiral quantum dot information are determined.
[0013] In one embodiment, the quantum dots to be modified include copper sulfide quantum dots; the preset performance conditions include preset catalytic performance conditions, wherein the preset catalytic performance conditions include at least one of preset optical performance conditions, preset catalytic activity conditions and preset catalytic efficiency conditions.
[0014] In one embodiment, the prediction process of the chiral modification process of the quantum dot to be modified is performed by a copper sulfide chiral modification large model, which includes a prediction layer and an output layer; based on the quantum dot information and preset performance conditions, the chiral modification process of the quantum dot to be modified is predicted, and the target chiral quantum dot information that meets the preset performance conditions and the target synthesis path information corresponding to the target chiral quantum dot information are determined, including:
[0015] Through the prediction layer, based on the quantum dot information and preset performance conditions, the chiral modification process of the quantum dots to be modified is predicted, and multiple chiral quantum dot information, the synthesis path information corresponding to each chiral quantum dot information, and the catalytic performance prediction results corresponding to each chiral quantum dot information are determined;
[0016] Through the output layer, based on the prediction results of each catalytic performance, the target chiral quantum dot information that meets the preset catalytic performance conditions is selected from the information of each chiral quantum dot, and the synthesis path information corresponding to the target chiral quantum dot information is determined as the target synthesis path information.
[0017] In one embodiment, based on the quantum dot information and the preset performance conditions, the chiral modification process of the quantum dot to be modified is predicted, and after the target chiral quantum dot information satisfying the preset performance conditions and the target synthesis path information corresponding to the target chiral quantum dot information are determined, the following is further included:
[0018] Obtaining the catalytic performance prediction results and catalytic performance measurement results of the target chiral quantum dots, wherein the catalytic performance prediction results are predicted by the copper sulfide chiral modification macromodel based on quantum dot information and preset performance conditions, and the catalytic performance measurement results are obtained by testing the processed target chiral quantum dots with a catalytic performance detection device;
[0019] Based on the catalytic performance prediction results and the catalytic performance measured results, the large model of chiral modification of copper sulfide was optimized.
[0020] In one embodiment, the quantum dot information includes quantum dot property information and quantum dot modification knowledge information; obtaining the quantum dot information of the quantum dot to be modified includes:
[0021] The quantum dot property information of the quantum dots 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 size information, quantum dot shape information, quantum dot surface property information and quantum dot chemical activity information.
[0022] In a second aspect, the present application also provides a synthesis path prediction device, comprising:
[0023] An acquisition module, used to acquire quantum dot information of the quantum dots to be modified;
[0024] The prediction module is used to predict the chiral modification process of the quantum dots to be modified based on the quantum dot information and preset performance conditions, determine the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information; wherein the target synthesis path information is used to guide the chiral modification processing of the quantum dots to be modified to obtain the target chiral quantum dots.
[0025] 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:
[0026] Acquire quantum dot information of the quantum dots to be modified;
[0027] Based on the quantum dot information and preset performance conditions, predict the chiral modification process of the quantum dots to be modified, determine the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information;
[0028] Among them, the target synthesis path information is used to guide the chiral modification processing of the quantum dots to be modified to obtain the target chiral quantum dots.
[0029] 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:
[0030] Acquire quantum dot information of the quantum dots to be modified;
[0031] Based on the quantum dot information and preset performance conditions, predict the chiral modification process of the quantum dots to be modified, determine the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information;
[0032] Among them, the target synthesis path information is used to guide the chiral modification processing of the quantum dots to be modified to obtain the target chiral quantum dots.
[0033] 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:
[0034] Acquire quantum dot information of the quantum dots to be modified;
[0035] Based on the quantum dot information and preset performance conditions, predict the chiral modification process of the quantum dots to be modified, determine the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information;
[0036] Among them, the target synthesis path information is used to guide the chiral modification processing of the quantum dots to be modified to obtain the target chiral quantum dots.
[0037] The above-mentioned synthesis path prediction method, device, computer equipment, computer-readable storage medium and computer program product, by obtaining the quantum dot information of the quantum dot to be modified, and then based on the quantum dot information and the preset performance conditions, predict the chiral modification process of the quantum dot to be modified, determine the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information, realize the chiral modification processing scheme design process for the quantum dot to be modified, can determine the synthesis path information of the target chiral quantum dot that meets the preset performance conditions, and the relevant personnel or processing equipment perform chiral modification processing on the quantum dot to be modified based on the target chiral modification results, and can process the target chiral quantum dot that meets the actual processing requirements and the preset performance conditions. Compared with the traditional laboratory design method, the present application can automatically simulate and predict the performance information of the modified chiral quantum dots of multiple chiral modification processing schemes in a shorter time, so as to more quickly screen out the target chiral quantum dots that meet the preset performance conditions and their corresponding synthesis path information, reduce the number of repeated and invalid experiments, and effectively save manpower and material resources, thereby reducing the manpower cost, resource cost and time cost of designing the synthesis path for the quantum dot to be modified. BRIEF DESCRIPTION OF THE DRAWINGS
[0038] 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.
[0039] Figure 1 A schematic diagram of a synthetic pathway prediction method in one embodiment;
[0040] Figure 2 is a schematic flow chart of a synthesis path prediction method in another embodiment;
[0041] Figure 3 is a structural block diagram of a synthesis path prediction device in an embodiment;
[0042] Figure 4 FIG. 4 is a diagram showing the internal structure of a computer device in one embodiment. DETAILED DESCRIPTION
[0043] 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.
[0044] In an exemplary embodiment, Figure 1 As shown, a synthetic path prediction method is provided. This embodiment takes 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-mounted 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 can be understood 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:
[0045] Step S10, obtaining quantum dot information of the quantum dots to be modified.
[0046] 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.
[0047] Quantum dot information may refer to information related to 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. Quantum dot identification information may include the name and number of the quantum dot. Quantum dot property information may refer to information about quantum dots that have been determined in the chiral modification process currently required for prediction, including at least one of quantum dot size information, quantum dot shape information, quantum dot surface property information, and quantum dot chemical activity information. Quantum dot property information may be determined based on actual processing requirements. For example, since the size and shape of quantum dots can directly affect the catalytic active 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 catalytic active area and the rate of the catalytic reaction are known in actual application scenarios.
[0048] For example, when a user has a need to design a chiral modification processing plan, the user can send quantum dot information of the quantum dots to be modified to the terminal through information input operation; the terminal can receive the quantum dot information sent by the user.
[0049] Step S20, based on the quantum dot information and preset performance conditions, predict the chiral modification process of the quantum dots to be modified, determine the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information; wherein the target synthesis path information is used to guide the chiral modification processing of the quantum dots to be modified to obtain the target chiral quantum dots.
[0050] Among them, the chiral modification process can refer to the process of chemically modifying or transforming the quantum dots to be modified using chiral molecules at the molecular level. Chiral molecules can refer to molecules with chiral centers that cannot completely overlap with their mirror images. The chiral centers can be asymmetric carbon atoms or other types of atoms or molecular structures, such as amino acids, sugars, nucleic acids, etc. Synthetic route design is an important step in the design of chiral modification processing schemes. The optimization of the synthetic route can ensure the efficient and economical acquisition of the target chiral quantum dots. By selecting appropriate reaction conditions, catalysts and solvents, the yield and selectivity of each step are optimized, thereby improving the overall synthesis efficiency, reducing costs, and ultimately meeting the product requirements in terms of purity, activity and safety.
[0051] For example, after obtaining the quantum dot information, the feasible chiral modification process of the quantum dot to be modified can be inferred based on the quantum dot information through model algorithms, digital simulations, logical reasoning programs, etc., to determine the chiral quantum dots obtained after multiple modifications, the synthesis path information of each chiral quantum dot, and the performance prediction results corresponding to each chiral quantum dot, and then according to the performance prediction results corresponding to each chiral quantum dot, one or more chiral quantum dots that meet the preset performance conditions are selected from each chiral quantum dot as the target chiral quantum dot, and the synthesis path information corresponding to the target chiral quantum dot is determined as the target synthesis path information. Among them, the performance prediction result can refer to the performance of the predicted chiral quantum dot.
[0052] In some feasible embodiments, based on quantum dot information and preset performance conditions, the chiral modification process of the quantum dots to be modified is predicted, the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information are determined, and it can also include: obtaining processing requirement information, and based on the processing requirement information, quantum dot information and preset performance conditions, predicting the chiral modification process of the quantum dots to be modified, determining the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information.
[0053] The processing requirement information may refer to other information in the chiral modification processing scheme of the quantum dots to be modified, in addition to the quantum dot information, which may be determined based on actual processing requirements and actual conditions.
[0054] 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.
[0055] In an exemplary embodiment, the processing requirement information includes at least one of chiral molecule requirement information, synthesis route information and performance testing conditions; wherein the chiral molecule requirement information includes at least one of chiral molecule configuration information, chiral molecule reactivity information and chiral molecule binding mode information; the synthesis route information includes at least one of bio-imaging temperature conditions, bio-imaging solvent conditions and bio-imaging acid-base conditions; the performance testing conditions include at least one of performance testing temperature conditions, performance testing solvent conditions and performance testing acid-base conditions.
[0056] Among them, the chiral molecule demand information may refer to the relevant information of the chiral molecules required for chiral modification of the quantum dots to be modified that can be determined before the prediction, and may include at least one of the chiral molecule type information and chiral molecule binding mode information, wherein the chiral molecule type can 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. The synthesis path information may refer to the process parameters in the synthesis process of the chiral molecules and the quantum dots to be modified that can be determined before the prediction, and may include at least one of the synthesis equipment, synthesis steps, environmental conditions of each synthesis step, and operation time of each synthesis step. The performance detection conditions may refer to the environmental conditions of the target chiral quantum dots obtained after modification in the application process that can be determined before the prediction. Based on the environmental conditions of the target chiral quantum dots in the application process, the environmental conditions for the performance detection of the target chiral quantum dots can be determined. By unifying the performance detection conditions, the difference between the performance detection results and the prediction results can be made to more accurately reflect the prediction effect of the model.
[0057] In some feasible implementations, based on the quantum dot information and the preset performance conditions, the chiral modification process of the quantum dot to be modified is predicted. In addition to determining the target chiral quantum dot information that meets the preset performance conditions and the target synthesis path information corresponding to the target chiral quantum dot information, the chiral modification result can also be obtained. The chiral modification result can refer to all or part of the chiral modification processing scheme that can realize the chiral modification of the quantum dot to be modified. For example, the chiral modification result can be a complete chiral modification processing scheme including the quantum dot information, or it can also be a predicted and determined part of the chiral modification processing scheme, or it can also be a user-specified output part of the chiral modification processing scheme. It can be determined specifically according to the actual situation, and this embodiment does not limit this.
[0058] 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 copper sulfide-lysine complexes.
[0059] In some feasible embodiments, the target 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.
[0060] In some feasible implementations, the processing requirement information may also include part of the chiral modification formula and synthesis path. For example, if the user wants to modify the quantum dots to be modified with lysine, lysine can be used as one of the processing requirement information, and then the chiral type and synthesis path of lysine, etc., and other information in the chiral modification processing scheme other than the processing requirement information can be predicted. For another example, if the user's current processing hardware conditions are limited and he wants to process based on the current processing hardware conditions, and the processing hardware conditions will restrict the synthesis path, then the current processing hardware conditions can be used as one of the processing requirement information, and the model can be used to determine the chiral modification formula and synthesis path that can be used under the current processing hardware conditions.
[0061] The target chiral modification result may refer to a chiral modification result that satisfies a preset catalytic performance condition. The target chiral modification result may be used to guide the chiral modification processing of the quantum dots to be modified, and process the target chiral quantum dots with better performance.
[0062] In some feasible embodiments, after obtaining the target chiral modification result, relevant personnel or processing equipment can perform chiral modification on the quantum dots to be modified based on the target chiral modification result to obtain the target chiral quantum dots.
[0063] In the above-mentioned synthesis path prediction method, by obtaining the quantum dot information of the quantum dot to be modified, and then based on the quantum dot information and the preset performance conditions, predicting the chiral modification process of the quantum dot to be modified, determining the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information, the chiral modification processing scheme design process for the quantum dot to be modified is realized, and the synthesis path information of the target chiral quantum dot that meets the preset performance conditions can be determined. The relevant personnel or processing equipment performs chiral modification processing on the quantum dot to be modified based on the target chiral modification results, and can process the target chiral quantum dots that meet the actual processing requirements and the preset performance conditions. Compared with the traditional laboratory design method, the present application can automatically simulate and predict the performance information of the modified chiral quantum dots of multiple chiral modification processing schemes in a shorter time, so as to more quickly screen out the target chiral quantum dots that meet the preset performance conditions and their corresponding synthesis path information, reduce the number of repeated and invalid experiments, and effectively save manpower and material resources, thereby reducing the manpower cost, resource cost and time cost of designing the synthesis path for the quantum dots to be modified.
[0064] In an exemplary embodiment, based on quantum dot information and preset performance conditions, predicting the chiral modification process of the quantum dots to be modified, determining target chiral quantum dot information that meets the preset performance conditions, and target synthesis path information corresponding to the target chiral quantum dot information, includes:
[0065] Obtain chiral molecule information;
[0066] Based on the quantum dot information and preset performance conditions, the chiral modification process of the quantum dots to be modified is predicted, and the target chiral quantum dot information that meets the preset performance conditions and the target synthesis path information corresponding to the target chiral quantum dot information are determined.
[0067] Among them, the chiral molecule demand information can refer to the relevant information of the chiral molecules required for chiral modification of the quantum dots to be modified, which can be determined before the prediction, and can include at least one of the chiral molecule type information and chiral molecule binding mode information, wherein the chiral molecule type can 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 can 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.
[0068] Illustratively, after obtaining quantum dot information and chiral molecule information, a feasible chiral modification process of the quantum dots to be modified can be inferred based on the quantum dot information and chiral molecule information through model algorithms, digital simulations, logical reasoning programs, etc., to determine the chiral quantum dots obtained after multiple modifications, the synthesis path information of each chiral quantum dot, and the performance prediction results corresponding to each chiral quantum dot. Then, based on the performance prediction results corresponding to each chiral quantum dot, one or more chiral quantum dots that meet preset performance conditions are selected from each chiral quantum dot as target chiral quantum dots, and the synthesis path information corresponding to the target chiral quantum dot is determined as the target synthesis path information.
[0069] In this embodiment, by predetermining the chiral molecule information as a prerequisite, the prediction process can be guided to predict more practical target chiral molecules. On the other hand, it can also save prediction resources for chiral modification processes that are difficult to achieve in practice, improve the efficiency of chiral molecule prediction, and reduce the cost of chiral molecule prediction.
[0070] In an exemplary embodiment, the quantum dots to be modified include copper sulfide quantum dots; the preset performance conditions include preset catalytic performance conditions, wherein the preset catalytic performance conditions include at least one of preset optical performance conditions, preset catalytic activity conditions and preset catalytic efficiency conditions.
[0071] Among them, copper sulfide (CuS) quantum dots can refer to semiconductor nanoparticles composed of copper and sulfur elements and with a size in the nanoscale range. Copper sulfide quantum dots have a high fluorescence quantum yield and can produce strong fluorescence signals at low concentrations, which is conducive to the detection of trace pollutants. They also show good chemical stability in aqueous solutions and various environmental conditions, are not easily oxidized or degraded, and are suitable for long-term monitoring. However, when detecting multiple pollutants, copper sulfide quantum dots lack selectivity for specific pollutants and are easily interfered by other substances, affecting the accuracy of the test results. Although copper sulfide quantum dots have a high fluorescence quantum yield, in actual applications, the detection sensitivity of copper sulfide quantum dots to certain low-concentration pollutants is still insufficient, making it difficult to meet the needs of high-precision detection. Chiral modification of copper sulfide quantum dots can overcome the above-mentioned defects and give them chiral optical activity, such as circular dichroism and circularly polarized luminescence. These chiral optical properties enable copper sulfide quantum dots to produce highly sensitive responses to chiral pollutants, thereby improving the selectivity and sensitivity of detection. The chirally modified copper sulfide quantum dots can selectively detect specific chiral pollutants through the chiral recognition mechanism, thereby being able to accurately distinguish target pollutants in complex environmental samples and avoid interference from other substances. In addition, the fluorescence intensity and stability of the chirally modified copper sulfide quantum dots are significantly improved, thereby effectively improving the detection sensitivity of low-concentration pollutants.
[0072] The catalytic performance conditions may refer to the conditions that the catalytic performance of the target chiral quantum dots obtained after modification needs to meet. For example, the catalytic performance conditions may be the highest catalytic performance information, or three conditions with higher catalytic performance information, etc.
[0073] The catalytic performance information may include optical performance, catalytic activity and catalytic efficiency, and the catalytic performance conditions may include a combination of one or more of the optical performance conditions, catalytic activity conditions and catalytic efficiency conditions. As an example, the result of comprehensive evaluation based on multiple of the optical performance conditions, catalytic activity conditions and catalytic efficiency conditions may be used as the catalytic performance information, so that a comprehensive score may be performed based on multiple of the optical performance, catalytic activity and catalytic efficiency of the target chiral quantum dots, and the target chiral quantum dot information and the target synthesis path information may be determined by comparing the comprehensive score and the comprehensive conditions. As another example, the priorities of optical performance conditions, catalytic activity conditions, and catalytic efficiency conditions can also be pre-set. When determining the target chiral modification results, they are compared in order of priority. For example, if the priorities are from high to low as the optical performance conditions, catalytic activity conditions, and catalytic efficiency conditions, the optical performance conditions are the five with the highest optical performance, the catalytic activity conditions are the three with the highest catalytic activity, and the catalytic efficiency conditions are the two with the highest catalytic efficiency, then the five with the highest optical performance can be selected from a large number of chiral quantum dots, and then the three with the highest catalytic activity can be selected from these five chiral quantum dots, and then the two with the highest catalytic efficiency can be selected from these three chiral quantum dots as the final target chiral quantum dots.
[0074] In an exemplary embodiment, the prediction process of the chiral modification process of the quantum dot to be modified is performed by the copper sulfide chiral modification large model, which includes a prediction layer and an output layer; based on the quantum dot information and the preset performance conditions, the chiral modification process of the quantum dot to be modified is predicted, and the target chiral quantum dot information that meets the preset performance conditions and the target synthesis path information corresponding to the target chiral quantum dot information are determined, including steps S21 to S22. Wherein:
[0075] Step S21, through the prediction layer, based on the quantum dot information and preset performance conditions, predict the chiral modification process of the quantum dots to be modified, determine multiple chiral quantum dot information, the synthesis path information corresponding to each chiral quantum dot information, and the catalytic performance prediction results corresponding to each chiral quantum dot information.
[0076] The copper sulfide chiral modification large model may refer to a large-scale computing model for predicting and designing chiral modification processing schemes, and the large-scale computing model may be a deep learning model or a machine learning model, etc. The copper sulfide chiral modification large model may be trained and optimized in advance. As an example, a large amount of real quantum dot modification experimental data may be obtained from various databases and laboratories in advance, and the large model to be trained may be trained using these quantum dot modification experimental data to obtain a trained copper sulfide chiral modification large model.
[0077] As an example, a large model for chiral modification of copper sulfide 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 quantum dots to be modified, as well as the catalytic performance labels corresponding to the labeled data of quantum dots to be modified; using the pre-trained large model, based on the labeled data of quantum dots to be modified, predicting the chiral modification process of the quantum dots to be modified, and obtaining the catalytic performance training prediction results; calculating the model loss based on the difference between the catalytic performance training prediction results and the catalytic performance labels, and iteratively optimizing the pre-trained large model based on the model loss to obtain the large model for chiral modification of copper sulfide.
[0078] The prediction layer is used to infer the chiral modification process of the quantum dots to be modified with different chiral molecules using different synthetic pathways, as well as to infer the catalytic performance of the chiral quantum dots after modification by each chiral modification process.
[0079] Exemplarily, after obtaining the quantum dot information, the quantum dot information can be input into the copper sulfide chiral modification large model, and through the prediction layer of the copper sulfide chiral modification large model, based on the quantum dot information, the feasible chiral modification process of the quantum dots to be modified is inferred, and the chiral quantum dots obtained after multiple modifications, the synthesis path information of each chiral quantum dot, and the performance prediction results corresponding to each chiral quantum dot are determined. It can be understood that the chiral quantum dots after modification are different for 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, there will still be differences in their specific structure and performance due to different synthesis paths. Therefore, the chiral quantum dots corresponding to each chiral modification result are different, and the catalytic performance information may also be different. Among them, the catalytic performance prediction results can be used to characterize the catalytic performance of the predicted chiral quantum dots.
[0080] Step S22, through the output layer, based on the catalytic performance prediction results, select the target chiral quantum dot information that meets the preset catalytic performance conditions from the chiral quantum dot information, and determine the synthesis path information corresponding to the target chiral quantum dot information as the target synthesis path information.
[0081] Among them, the output layer is used to screen and output the target chiral modification results that meet the preset catalytic performance conditions.
[0082] For example, after obtaining multiple chiral quantum dots and the catalytic performance prediction results corresponding to each chiral quantum dot, the output layer can be used to select one or more chiral quantum dots that meet preset performance conditions from each chiral quantum dot as target chiral quantum dots based on the performance prediction results corresponding to each chiral quantum dot, and the synthesis path information corresponding to the target chiral quantum dot is determined as the target synthesis path information.
[0083] In some feasible embodiments, the number of target chiral modification results can be multiple. The copper sulfide chiral modification large model is mainly used to infer feasible chiral modification processes, and predict the catalytic performance of the modified chiral quantum dots, so as to screen out a more optimal chiral modification processing scheme, that is, it is mainly used for the initial screening of chiral modification processing schemes, reducing the number of experiments in the initial screening stage, but before mass production, it is still necessary to verify by experiment. Therefore, multiple target chiral modification results with relatively excellent catalytic performance prediction results can be screened out, and then verified in combination with experiments, and further selected in combination with the actual situation and verification results in the experimental verification process. In this way, by combining the large model with the experiment, 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 by experimental verification.
[0084] In an exemplary embodiment, Figure 2 As shown, based on the quantum dot information and the preset performance conditions, the chiral modification process of the quantum dots to be modified is predicted, and after the target chiral quantum dot information that meets the preset performance conditions and the target synthesis path information corresponding to the target chiral quantum dot information are determined, steps S30 to S40 are also included. Among them:
[0085] Step S30, obtaining the catalytic performance prediction result and the catalytic performance measured result of the target chiral quantum dots, wherein the catalytic performance prediction result is predicted by the copper sulfide chiral modification large model based on the quantum dot information and preset performance conditions, and the catalytic performance measured result is obtained by detecting the processed target chiral quantum dots by a catalytic performance detection device.
[0086] The catalytic performance prediction result may refer to the catalytic performance information of the target chiral quantum dots predicted by the copper sulfide chiral modification macromodel, which can be predicted by the copper sulfide chiral modification macromodel based on the quantum dot information. The catalytic performance measured result may refer to the catalytic performance information obtained by testing the target chiral quantum dots actually processed through experiments, which can be obtained by relevant personnel or processing equipment actually processing the target chiral quantum dots based on the target chiral modification results, and then testing the catalytic performance information of the actually processed target chiral quantum dots.
[0087] Illustratively, after the copper sulfide chiral modification large model outputs the target chiral modification result, relevant personnel or processing equipment actually processes the target chiral quantum dots based on the target chiral modification result, and then performs catalytic performance information detection on the actually processed target chiral quantum dots to obtain the actual measured results of the catalytic performance; simultaneously, the catalytic performance prediction results calculated by the copper sulfide chiral modification large model during the prediction process can be obtained.
[0088] Step S40, optimizing the large model of chiral modification of copper sulfide according to the catalytic performance prediction results and the catalytic performance measured results.
[0089] Illustratively, by comparing the difference between the predicted catalytic performance results and the measured catalytic performance results, the model prediction loss can be calculated based on the difference between the predicted catalytic performance results and the measured catalytic performance results, and then the copper sulfide chiral modification large model can be optimized based on the model prediction loss through back propagation.
[0090] It can be understood that the large model of chiral modification of copper sulfide in the actual application process has been optimized, and further optimization in the actual application process can be carried out after each prediction, or it can be carried out regularly at intervals. For example, the catalytic performance prediction results and the catalytic performance measured results are collected every week or every month, and the data generated in these application processes are used regularly every week or every month to further optimize the large model of chiral modification of copper sulfide.
[0091] In this embodiment, by collecting data and performing further optimization during the application of the large model of chiral modification of copper sulfide, 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.
[0092] In an exemplary embodiment, obtaining the measured results of the catalytic performance of the target chiral quantum dots includes steps S31 to S32.
[0093] Step S31, controlling the chiral modification processing device to perform chiral modification processing on the quantum dots to be modified according to the target synthesis path information to obtain target chiral quantum dots.
[0094] Herein, the chiral modification processing device may refer to a device capable of performing chiral modification processing.
[0095] For example, after the synthesis path information is determined by the large model of chiral modification of copper sulfide, the chiral modification processing device can be controlled according to the synthesis path information to perform chiral modification processing on the quantum dots to be modified to obtain target chiral quantum dots.
[0096] As an example, the chiral modification processing device may include a weighing module, a stirring module, a centrifugal module and a washing module; the copper sulfide chiral modification large model can also output a target chiral modification result, the target 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 target 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.
[0097] Step S32, controlling the catalytic performance detection device to detect the catalytic performance information of the target chiral quantum dots, and obtaining the actual measurement results of the catalytic performance of the target chiral quantum dots.
[0098] The catalytic performance detection device may refer to a device capable of detecting catalytic performance information.
[0099] For example, after processing the target chiral quantum dots, the target chiral quantum dots can be transferred to a catalytic performance detection device, and the catalytic performance detection device can be controlled to detect the catalytic performance information of the target chiral quantum dots to obtain the actual measured results of the catalytic performance of the target chiral quantum dots.
[0100] As an example, the quantum dots to be modified include copper sulfide quantum dots; the catalytic performance detection device may include a reactor and a detection module, and the detection module may include at least one of ultraviolet-visible spectroscopy, gas chromatography, liquid chromatography, etc.; the catalytic performance detection device is controlled to simulate the process of target chiral quantum dots in the reactor, and the catalytic performance detection is performed through the detection module to obtain the actual measured results of the catalytic performance of the target chiral quantum dots.
[0101] In this embodiment, through the automated control of the chiral modification processing device and the catalytic performance detection device, the automated verification of the target chiral modification results can be achieved, and the verification results can optimize the copper sulfide chiral modification large model. The optimized copper sulfide chiral modification large model can design a better chiral modification processing plan, thereby improving the efficiency and reliability of chiral modification at the same time.
[0102] In an exemplary embodiment, the quantum dot information includes quantum dot property information and quantum dot modification knowledge information; obtaining the quantum dot information of the quantum dot to be modified includes:
[0103] The quantum dot property information of the quantum dots 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 size information, quantum dot shape information, quantum dot surface property information and quantum dot chemical activity information.
[0104] 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.
[0105] 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.
[0106] In a feasible implementation, the preset knowledge base may be a knowledge graph.
[0107] 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 information and input into the copper sulfide chiral modification large model for model prediction.
[0108] In this embodiment, the accuracy of chiral modification can be effectively improved by supplementing the quantum dot information with a knowledge base.
[0109] 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.
[0110] Based on the same inventive concept, the embodiment of the present application also provides a synthesis path prediction device for implementing the synthesis path 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 synthesis path prediction device embodiments provided below can refer to the limitations of the synthesis path prediction method above, and will not be repeated here.
[0111] In an exemplary embodiment, Figure 3 As shown, a synthesis path prediction device is provided, including: an acquisition module 302 and a prediction module 304, wherein:
[0112] An acquisition module 302 is used to acquire quantum dot information of the quantum dots to be modified;
[0113] The prediction module 304 is used to predict the chiral modification process of the quantum dots to be modified based on the quantum dot information and preset performance conditions, determine the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information; wherein the target synthesis path information is used to guide the chiral modification processing of the quantum dots to be modified to obtain the target chiral quantum dots.
[0114] In an exemplary embodiment, the prediction module 304 is further configured to:
[0115] Obtain chiral molecule information;
[0116] Based on the quantum dot information and preset performance conditions, the chiral modification process of the quantum dots to be modified is predicted, and the target chiral quantum dot information that meets the preset performance conditions and the target synthesis path information corresponding to the target chiral quantum dot information are determined.
[0117] In an exemplary embodiment, the quantum dots to be modified include copper sulfide quantum dots; the preset performance conditions include preset catalytic performance conditions, wherein the preset catalytic performance conditions include at least one of preset optical performance conditions, preset catalytic activity conditions, and preset catalytic efficiency conditions; the prediction process of the chiral modification process of the quantum dots to be modified is performed by a copper sulfide chiral modification large model, and the copper sulfide chiral modification large model includes a prediction layer and an output layer; the prediction module 304 is also used to:
[0118] Through the prediction layer, based on the quantum dot information and preset performance conditions, the chiral modification process of the quantum dots to be modified is predicted, and multiple chiral quantum dot information, the synthesis path information corresponding to each chiral quantum dot information, and the catalytic performance prediction results corresponding to each chiral quantum dot information are determined;
[0119] Through the output layer, based on the prediction results of each catalytic performance, the target chiral quantum dot information that meets the preset catalytic performance conditions is selected from the information of each chiral quantum dot, and the synthesis path information corresponding to the target chiral quantum dot information is determined as the target synthesis path information.
[0120] In an exemplary embodiment, the synthesis path 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 information and the preset performance conditions, determines the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information, and the optimization module is used to:
[0121] Obtaining the catalytic performance prediction results and catalytic performance measurement results of the target chiral quantum dots, wherein the catalytic performance prediction results are predicted by the copper sulfide chiral modification macromodel based on quantum dot information and preset performance conditions, and the catalytic performance measurement results are obtained by testing the processed target chiral quantum dots with a catalytic performance detection device;
[0122] Based on the catalytic performance prediction results and the catalytic performance measured results, the large model of chiral modification of copper sulfide was optimized.
[0123] In an exemplary embodiment, the quantum dot information includes quantum dot property information and quantum dot modification knowledge information; the acquisition module 302 is further used to:
[0124] The quantum dot property information of the quantum dots 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 size information, quantum dot shape information, quantum dot surface property information and quantum dot chemical activity information.
[0125] Each module in the above-mentioned synthesis path prediction device can be implemented in whole or in part by software, hardware or a combination thereof. Each module 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 module.
[0126] 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. 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. 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 an 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 implemented through WIFI, a mobile cellular network, near field communication (NFC) or other technologies. When the computer program is executed by the processor, a synthesis path prediction method is implemented. 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.
[0127] 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.
[0128] 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.
[0129] 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.
[0130] 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.
[0131] 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.
[0132] 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.
[0133] 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.
[0134] 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 a synthesis path, characterized in that: The method comprises: Acquire quantum dot information of the quantum dots to be modified; Based on the quantum dot information and preset performance conditions, predict the chiral modification process of the quantum dot to be modified, determine the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information; The target synthesis path information is used to guide the chiral modification of the quantum dots to be modified to obtain target chiral quantum dots.
2. The method according to claim 1, characterized in that The method of predicting the chiral modification process of the quantum dot to be modified based on the quantum dot information and the preset performance conditions, determining the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information, includes: Obtain chiral molecule information; Based on the quantum dot information and preset performance conditions, the chiral modification process of the quantum dots to be modified is predicted, and the target chiral quantum dot information that meets the preset performance conditions and the target synthesis path information corresponding to the target chiral quantum dot information are determined.
3. The method according to claim 1 or 2, characterized in that: The quantum dots to be modified include copper sulfide quantum dots; the preset performance conditions include preset catalytic performance conditions, wherein the preset catalytic performance conditions include at least one of preset optical performance conditions, preset catalytic activity conditions and preset catalytic efficiency conditions.
4. The method according to claim 3, characterized in that: The prediction process of the chiral modification process of the quantum dot to be modified is performed by a copper sulfide chiral modification large model, and the copper sulfide chiral modification large 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 information and preset performance conditions, determining the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information, including: Through the prediction layer, based on the quantum dot information and preset performance conditions, the chiral modification process of the quantum dot to be modified is predicted, and multiple chiral quantum dot information, synthesis path information corresponding to each chiral quantum dot information, and catalytic performance prediction results corresponding to each chiral quantum dot information are determined; Through the output layer, based on each of the catalytic performance prediction results, target chiral quantum dot information that meets the preset catalytic performance conditions is selected from each of the chiral quantum dot information, and the synthesis path information corresponding to the target chiral quantum dot information is determined as the target synthesis path information.
5. The method according to claim 4, characterized in that After predicting the chiral modification process of the quantum dot to be modified based on the quantum dot information and the preset performance conditions, and determining the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information, the method further includes: Obtaining a catalytic performance prediction result and a catalytic performance measured result of the target chiral quantum dots, wherein the catalytic performance prediction result is predicted by the copper sulfide chiral modification macromodel based on the quantum dot information and preset performance conditions, and the catalytic performance measured result is obtained by detecting the processed target chiral quantum dots by a catalytic performance detection device; According to the catalytic performance prediction results and the catalytic performance measured results, the copper sulfide chiral modification large model is optimized.
6. The method according to claim 1 or 2, characterized in that: The quantum dot information includes quantum dot property information and quantum dot modification knowledge information; the step of obtaining the quantum dot information of the quantum dot 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 size information, quantum dot shape information, quantum dot surface property information and quantum dot chemical activity information.
7. A synthesis path prediction device, characterized in that: The device comprises: An acquisition module, used to acquire quantum dot 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 information and preset performance conditions, determine the target chiral quantum dot information that meets the preset performance conditions, and the target synthesis path information corresponding to the target chiral quantum dot information, wherein the target synthesis path information is used to guide the chiral modification processing of the quantum dots to be modified to obtain 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.