Improving the Virtual Screening Ability of Target-Specific Scoring Functions Using Deep Learning Methods

Scoring functions play an important role in structure-based virtual screening. It has been widely accepted that target-specific scoring functions (TSSFs) may achieve better performance compared with universal scoring functions in actual drug research and development processes. A method that can effe...

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Bibliographic Details

Published in:	Frontiers in Pharmacology
Main Authors:	Dingyan Wang, Chen Cui, Xiaoyu Ding, Zhaoping Xiong, Mingyue Zheng, Xiaomin Luo, Hualiang Jiang, Kaixian Chen
Format:	Article
Language:	English
Published:	Frontiers Media S.A. 2019-08-01
Subjects:	virtual screening target-specific scoring function deep learning drug discovery DUD-E
Online Access:	https://www.frontiersin.org/article/10.3389/fphar.2019.00924/full