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导向传递信息的神经网络的应用,用于预测人类口服药品的生物可用性

Lin Wei1, Yihe Fang1, Peng Chen1

  • 1State Key Laboratory of Biocatalysis and Enzyme Engineering, School of Life Sciences, Hubei University, Wuhan, Hubei, People's Republic of China.

Journal of computer-aided molecular design
|August 19, 2025
PubMed
概括

这项研究引入了一个深度学习模型来预测人类口服生物可用性 (HOB),提高药物开发成功率. 这种新的方法通过将分子图形特征与物理化学性质相结合,以更快,更准确的候选药物查来提高预测.

关键词:
化工制品的使用方法有针对性的传递信息的神经网络 (D-MPNN)人类口服生物可用性 (HOB)解释性分析可以解释.

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