A comparative chemometric study of QSAR descriptors.
Traditional descriptors for Qsar models are compared with two alternative blocks obtained by computer chemistry tools: electronic densities and principal properties. All three sets show similar prediction abilities by PLS modelling.
Bonelli
D
D
Dipartimento di Chimica, Università di Perugia, Italy.
Coata
G
G
Cruciani
G
G
Clementi
S
S
Marsili
M
M
D008956:Models, Chemical; D010600:Pharmacology; D013329:Structure-Activity Relationship; D009626:Terminology as Topic