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

J Chem Inf Model

Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Endenicher Allee 19c, D-53115 Bonn, Germany.

Published: September 2020

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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Source
http://dx.doi.org/10.1021/acs.jcim.9b01101DOI Listing

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