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Biased Diversity for Effective Virtual Screening

Martin, Eric and Jansen, Hanneke (2020) Biased Diversity for Effective Virtual Screening. Journal of Chemical Information and Modeling, 60 (9). pp. 4116-4119. ISSN 1549-95961549-960X


Virtual screening is no longer merely a matter of identifying the pool of compounds from a large collection that are active against a particular endpoint. This article shares our viewpoint as practitioners of virtual screening at Novartis, where virtual screening has evolved to a workflow combining multiple computational tools aimed at identifying quality compounds that inform drug discovery.

Item Type: Article
Keywords: virtual screening, triaging, activity prediction, virtual profiling, property space
Date Deposited: 13 Oct 2020 00:45
Last Modified: 13 Oct 2020 00:45


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