title: Evolution of the activity cliff concept for structure-activity relationship analysis and drug discovery.
authors.forename: Jürgen
authors.initials: J
authors.lastname: Bajorath
mesh_terms: D000818:Animals; D002626:Chemistry, Pharmaceutical; D057225:Data Mining / Q000379:methods; D055808:Drug Discovery / Q000379:methods; D006801:Humans; D013329:Structure-Activity Relationship
keywords: SAR analysis; active compounds; activity cliffs; compound data mining; lead optimization; molecular similarity