Selected concepts and investigations in compound classification, molecular descriptor analysis, and virtual screening.
Bajorath
J
J
New Chemical Entities, Inc., 18804 North Creek Parkway, Suite 100, Bothell, Washington 98011, USA. jbajorath@ncemail.com
D004353:Drug Evaluation, Preclinical / Q000379:methods* / Q000706:statistics & numerical data; D015394:Molecular Structure; D004364:Pharmaceutical Preparations / Q000145:classification*; D014584:User-Computer Interface
D004364:Pharmaceutical Preparations