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

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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Veröffentlicht in:Journal of chemical information and modeling 2020-09, Vol.60 (9), p.4112-4115
Hauptverfasser: Stumpfe, Dagmar, Bajorath, Jürgen
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Sprache:eng
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Screening
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container_title Journal of chemical information and modeling
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creator Stumpfe, Dagmar
Bajorath, Jürgen
description 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.
doi_str_mv 10.1021/acs.jcim.9b01101
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subjects Screening
title Current Trends, Overlooked Issues, and Unmet Challenges in Virtual Screening
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