Hit compound discovery method, apparatus, device, and storage medium

HK40088364BActive Publication Date: 2026-07-10TENCENT TECHNOLOGY (SHENZHEN) CO LTD

Patent Information

Authority / Receiving Office: HK · HK
Patent Type: Patents
Current Assignee / Owner: TENCENT TECHNOLOGY (SHENZHEN) CO LTD
Filing Date: 2023-08-11
Publication Date: 2026-07-10

AI Technical Summary

Technical Problem

Existing meta-learning models suffer from insufficient training data and a large gap between training and testing data. This causes the models to tend to memorize the testing data rather than extract the relationship between molecular structure and activity value from the training data, resulting in low accuracy of lead compounds.

Method used

By mixing the test and training sets of the meta-learning model, the model parameters are optimized, the model's memory of the test set is reduced, and the model's generalization ability is improved, thereby increasing the accuracy of lead compounds.

Benefits of technology

Hybrid processing improves the performance of the meta-learning model, resulting in higher accuracy in identifying lead compounds and enhancing the accuracy of the drug discovery process.

✦ Generated by Eureka AI based on patent content.

Smart Images

Figure 00000000_0000_ABST

Patent Text Reader

Abstract

The application provides a lead compound discovery method, device, equipment and storage medium, comprising: obtaining a meta-learning model with initial parameters; obtaining activity data of a target target point and a plurality of historical target points, dividing the activity data of the first target point to obtain a training set and an original test set corresponding to the first target point, in the meta-learning method, for any one of the plurality of original test samples, selecting a training sample corresponding to the original test sample from the plurality of training samples, and mixing the original test sample and the training sample corresponding to the original test sample to obtain a mixed processing result; optimizing the initial parameters according to the mixed processing result of all first target points to obtain first parameters; and determining a lead compound for the target target point according to the first parameters, the meta-learning model and the activity data of the target target point, so that the determined lead compound has higher accuracy.

Need to check novelty before this filing date? Find Prior Art