title: Approaches to virtual screening and screening library selection.
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.
authors.affiliation: Biochemistry and Molecular Biophysics, Washington University, 660 S. Euclid Ave, St. Louis, MO 63110, USA. wildman@biochem.wustl.edu
authors.forename: Scott A
authors.initials: SA
authors.lastname: Wildman
mesh_terms: D004353:Drug Evaluation, Preclinical / Q000379:methods*; D021281:Quantitative Structure-Activity Relationship; D015203:Reproducibility of Results; D012984:Software