Deep Learning with Geometry-Enhanced Molecular Representation for Augmentation of Large-Scale Docking-Based Virtual Screening

Lan Yu, Xiao He 0004, Xiaomin Fang, Lihang Liu, Jinfeng Liu 0004. Deep Learning with Geometry-Enhanced Molecular Representation for Augmentation of Large-Scale Docking-Based Virtual Screening. Journal of Chemical Information and Computer Sciences, 63(21):6501-6514, November 2023. [doi]

Abstract

Abstract is missing.