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Updated: Jan 18, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
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图表集群引导的多视图社区增强的图表对比学习用于药物向相互作用预测

Yaomiao Zhao, Shaohang Qiao, Qiao Ning

    IEEE journal of biomedical and health informatics
    |September 8, 2025
    PubMed
    概括

    这项研究引入了MneGCL,这是一种新的图形对比学习方法,用于改善药物向相互作用的预测,特别是在稀疏的数据中. 这种方法增强了与药物和目标不太相关的特征表示,提高了预测的准确性.

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