Approaches to Virtual Screening and Screening Library Selection

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.

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