Molecular fields in drug discovery: getting old or reaching maturity?
With GRID first published 23 years ago, and CoMFA 20 years ago, the two most widely known methods that apply molecular fields to drug discovery are now into their third decade. Are molecular-field-based methods still applicable to modern drug discovery? Are they old and outdated? Or are they maturing into their full potential?
Cross
Simon
S
Molecular Discovery Limited, 215 Marsh Road, Pinner, Middlesex, London HA5 5NE, United Kingdom. Simon@moldiscovery.com
Cruciani
Gabriele
G
D003198:Computer Simulation; D017076:Computer-Aided Design; D055808:Drug Discovery / Q000379:methods*; D006801:Humans; D008958:Models, Molecular; D021281:Quantitative Structure-Activity Relationship