Current Trends, Overlooked Issues, and Unmet Challenges in Virtual Screening

Virtual compound screening focusing on hit identification is among the most popular computational approaches in pharmaceutical research. Yet, its opportunities and limitations are often not fully understood. Herein, we critically discuss several aspects of virtual screening that are thought to be of...

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Bibliographic Details
Published inJournal of chemical information and modeling Vol. 60; no. 9; pp. 4112 - 4115
Main Authors Stumpfe, Dagmar, Bajorath, Jürgen
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 28.09.2020
Subjects
Screening
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Summary:Virtual compound screening focusing on hit identification is among the most popular computational approaches in pharmaceutical research. Yet, its opportunities and limitations are often not fully understood. Herein, we critically discuss several aspects of virtual screening that are thought to be of particular relevance for the field going forward.
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ISSN:1549-9596
1549-960X
DOI:10.1021/acs.jcim.9b01101