PocketDTA:, afinity

Jiang Xie1, Shengsheng Zhong1, Dingkai Huang1

  • 1School of Computer Engineering and Science, Shanghai University, Shanghai, 200444, China.

概括

PocketDTA是一种新的深度学习模型,通过整合蛋白质结构和序列数据来提高药物发现,以准确地预测药物向亲和力. 这种基于口袋的方法可以改善模型的概括性,从而获得更可靠的预测.

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