Abstract
The ease of access to virtual screening (VS) software in recent years has resulted in a large increase in literature reports. Over 300 publications in the last year report the use of virtual screening techniques to identify new chemical matter or present the development of new virtual screening techniques. The increased use is accompanied by a corresponding increase in misuse and misinterpretation of virtual screening results. This review aims to identify many of the common difficulties associated with virtual screening and allow researchers to better assess the reliability of their virtual screening effort.
Keywords: Virtual screening, compound library, docking, scoring, QSAR, pharmacophore.
Current Pharmaceutical Design
Title:Approaches to Virtual Screening and Screening Library Selection
Volume: 19 Issue: 26
Author(s): Scott A. Wildman
Affiliation:
Keywords: Virtual screening, compound library, docking, scoring, QSAR, pharmacophore.
Abstract: The ease of access to virtual screening (VS) software in recent years has resulted in a large increase in literature reports. Over 300 publications in the last year report the use of virtual screening techniques to identify new chemical matter or present the development of new virtual screening techniques. The increased use is accompanied by a corresponding increase in misuse and misinterpretation of virtual screening results. This review aims to identify many of the common difficulties associated with virtual screening and allow researchers to better assess the reliability of their virtual screening effort.
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Cite this article as:
Wildman A. Scott, Approaches to Virtual Screening and Screening Library Selection, Current Pharmaceutical Design 2013; 19 (26) . https://dx.doi.org/10.2174/1381612811319260009
DOI https://dx.doi.org/10.2174/1381612811319260009 |
Print ISSN 1381-6128 |
Publisher Name Bentham Science Publisher |
Online ISSN 1873-4286 |
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