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一种超学习和任务适应性方法用于药物向亲和力预测

Mengxuan Wan1,2, Yanpeng Zhao1, Yixin Zhang2

  • 1School of Medicine, Shanghai University, Shanghai, China.

Nature communications
|March 11, 2026
PubMed
概括

AdaMBind是一种新的元学习模型,可以在数据不足的情况下改善药物向亲和力 (DTA) 预测. 它增强了虚拟查,并识别了强大的抑制剂,为少量DTA预测提供了一个强大的框架.

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