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Updated: Sep 17, 2025

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA
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通过从活动转移学习来提高药物向相互作用预测能力 悬崖预测任务

Regina Ibragimova1, Dimitrios Iliadis1, Willem Waegeman1

  • 1Department of Data Analysis and Mathematical Modelling, Ghent University, Coupure Links, Ghent 9000, Belgium.

Journal of chemical information and modeling
|June 30, 2025
PubMed
概括

从活动悬崖 (AC) 预测转移学习可以改善机器学习模型的药物向相互作用 (DTI) 预测,特别是在具有挑战性的情况下. 这种方法提高了具有相似结构但不同活动的化合物的处理.

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