基于3D结构的药物设计中的几何深度学习方法和应用

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Qifeng Bai1, Tingyang Xu2, Junzhou Huang3

  • 1School of Basic Medical Sciences, Lanzhou University, Lanzhou 730000, Gansu, PR China.

Drug discovery today
|May 17, 2024
PubMed
概括

几何深度学习通过使神经网络能够学习复杂的分子数据来推进基于3D结构的药物设计 (SBDD). 本综述涵盖了创新药物发现的关键方法和应用.

关键词:
基于3D结构的药物设计.深度学习是一种深度学习.生成型模型是一种生成型模型.几何深度学习的几何深度学习

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