title: Virtual screening methods as tools for drug lead discovery from large chemical libraries.
abstract: Virtual screening methods have been developed and explored as useful tools for searching drug lead compounds from chemical libraries, including large libraries that have become publically available. In this review, we discussed the new developments in exploring virtual screening methods for enhanced performance in searching large chemical libraries, their applications in screening libraries of ~ 1 million or more compounds in the last five years, the difficulties in their applications, and the strategies for further improving these methods.
authors.affiliation: State Key Laboratory of Biotherapy, Sichuan University, Chengdu 610064, P.R.China.
authors.forename: X H
authors.initials: XH
authors.lastname: Ma
authors.forename: F
authors.initials: F
authors.lastname: Zhu
authors.forename: X
authors.initials: X
authors.lastname: Liu
authors.forename: Z
authors.initials: Z
authors.lastname: Shi
authors.forename: J X
authors.initials: JX
authors.lastname: Zhang
authors.forename: S Y
authors.initials: SY
authors.lastname: Yang
authors.forename: Y Q
authors.initials: YQ
authors.lastname: Wei
authors.forename: Y Z
authors.initials: YZ
authors.lastname: Chen
mesh_terms: D055808:Drug Discovery; D004353:Drug Evaluation, Preclinical; D006801:Humans; D054852:Small Molecule Libraries
chemical_list: D054852:Small Molecule Libraries