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Title: Virtual screening methods as tools for drug lead discovery from large chemical libraries
Authors: Ma, X.H. 
Zhu, F.
Liu, X.
Shi, Z.
Zhang, J.X.
Yang, S.Y.
Wei, Y.Q.
Chen, Y.Z. 
Keywords: Machine learning
Molecular docking
Quantitative structure activity relationship
Similarity searching
Support vector machines
Issue Date: Nov-2012
Citation: Ma, X.H.,Zhu, F.,Liu, X.,Shi, Z.,Zhang, J.X.,Yang, S.Y.,Wei, Y.Q.,Chen, Y.Z. (2012-11). Virtual screening methods as tools for drug lead discovery from large chemical libraries. Current Medicinal Chemistry 19 (32) : 5562-5571. ScholarBank@NUS Repository.
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. © 2012 Bentham Science Publishers.
Source Title: Current Medicinal Chemistry
ISSN: 09298673
DOI: 10.2174/092986712803833245
Appears in Collections:Staff Publications

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