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Please use this identifier to cite or link to this item: https://doi.org/10.2174/092986712803833245
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dc.titleVirtual screening methods as tools for drug lead discovery from large chemical libraries
dc.contributor.authorMa, X.H.
dc.contributor.authorZhu, F.
dc.contributor.authorLiu, X.
dc.contributor.authorShi, Z.
dc.contributor.authorZhang, J.X.
dc.contributor.authorYang, S.Y.
dc.contributor.authorWei, Y.Q.
dc.contributor.authorChen, Y.Z.
dc.date.accessioned2014-10-29T02:01:02Z
dc.date.available2014-10-29T02:01:02Z
dc.date.issued2012-11
dc.identifier.citationMa, 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. https://doi.org/10.2174/092986712803833245
dc.identifier.issn09298673
dc.identifier.urihttp://scholarbank.nus.edu.sg/handle/10635/106506
dc.description.abstractVirtual 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.
dc.description.urihttp://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.2174/092986712803833245
dc.sourceScopus
dc.subjectMachine learning
dc.subjectMolecular docking
dc.subjectPharmacophore
dc.subjectQuantitative structure activity relationship
dc.subjectSimilarity searching
dc.subjectSupport vector machines
dc.typeArticle
dc.contributor.departmentPHARMACY
dc.description.doi10.2174/092986712803833245
dc.description.sourcetitleCurrent Medicinal Chemistry
dc.description.volume19
dc.description.issue32
dc.description.page5562-5571
dc.description.codenCMCHE
dc.identifier.isiutNOT_IN_WOS
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