HPDAF: A Practical Tool for Predicting Drug-Target Binding Affinity Using Multimodal Features

doi:10.1016/j.ejmech.2025.118153

2025-09-08

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DOI：10.1016/j.ejmech.2025.118153

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摘要

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• HPDAF框架通过双重注意力机制融合蛋白质、药物和结合口袋特征。 • 在关键数据集上超越最新先进模型，具有更高的CI、R值和更低的误差指标。 • EGFR案例研究将模型注意力与药效基团联系起来，有助于药物设计。 • 开源指南使药物化学家能够使用HPDAF进行筛选和优化。

期刊

European Journal of Medicinal Chemistry

IF:

5.9

论文数:

1.7W

被引数:

6.0W

机构

china university of petroleum (east china)

学者数:

5.1K

论文数: 1.4K

被引数: 0

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