Applications of genetic algorithms to drug design

Abstract

This review examines the role of genetic and other evolutionary algorithms in the field of drug design. These methods have demonstrated their suitability in a variety of areas, including quantitative structure-activity relationships (QSARs) and variable selection, conformation searching, receptor docking, receptor and pharmacophore elucidation, molecular de novo design and molecular selection with combinatorial libraries. Based upon the studies examined, genetic algorithms and other forms of evolutionary programs are likely to have a useful role in future drug design.