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Updated: Jul 6, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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图形CL-DTA:图形对比学习与分子语义,用于药物目标结合 afinity 预测

Xinxing Yang, Genke Yang, Jian Chu

    IEEE journal of biomedical and health informatics
    |January 8, 2024
    PubMed
    概括

    通过改善药物向相互作用预测,GraphCL-DTA增强了药物发现. 这种新方法使用图形对比学习来更好地表示分子,提高药物标结合亲和力的预测准确度.

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