一种基于多模态神经网络模型的DTA预测方法

By using a multimodal neural network model, combining GCN and CNN to extract drug and protein features, and fusing multi-scale features through an attention mechanism, the data dependence and accuracy problems in drug-target affinity prediction are solved, achieving more efficient prediction results.

CN119993272BActive Publication Date: 2026-07-17ZHENGZHOU UNIV

Patent Information

Authority / Receiving Office
CN · China
Patent Type
Patents(China)
Current Assignee / Owner
ZHENGZHOU UNIV
Filing Date
2025-01-16
Publication Date
2026-07-17

AI Technical Summary

Technical Problem

Existing technologies for drug-target affinity prediction suffer from problems such as strong data dependence, limited prediction accuracy, and insufficient model generalization ability, and lack effective protein sequence map conversion methods.

Method used

A multimodal neural network model is adopted, including a drug feature extraction module, a protein overall feature extraction module, a protein feature fusion module, and an affinity prediction module. GCN and CNN are used to extract features of drugs and proteins respectively, and multi-scale features are fused through an attention mechanism to construct an MDNN-DTA prediction model.

Benefits of technology

It improves the accuracy and efficiency of drug-target affinity prediction, effectively uncovers potential interactions between drug and target data, and enhances the model's generalization ability and prediction accuracy.

✦ Generated by Eureka AI based on patent content.

Smart Images

  • Figure CN119993272B_ABST
    Figure CN119993272B_ABST
Patent Text Reader

Abstract

本发明提供了一种基于多模态神经网络模型的DTA预测方法,涉及药物发现技术领域,该方法包括:采集药物数据及标靶蛋白数据,并对其进行预处理,构建MDNN‑DTA预测模型,基于采集的数据生成数据集,基于数据集对MDNN‑DTA预测模型进行训练,得到训练后的MDNN‑DTA预测模型,将待预测的数据输入训练后的MDNN‑DTA预测模型,得到预测结果。本发明利用GCN和CNN构建了特征提取模块,分别用于捕捉药物分子和目标蛋白质的序列特征,还通过一个基于注意力的特征融合块(PFF)整合蛋白质序列的多尺度特征,进一步提高了模型的准确性。
Need to check novelty before this filing date? Find Prior Art