QSAR analysis of hypoglycemic agents using the topological indices

Citation
M. Murcia-soler et al., QSAR analysis of hypoglycemic agents using the topological indices, J CHEM INF, 41(5), 2001, pp. 1345-1354
Citations number
26
Categorie Soggetti
Chemistry
Journal title
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
ISSN journal
00952338 → ACNP
Volume
41
Issue
5
Year of publication
2001
Pages
1345 - 1354
Database
ISI
SICI code
0095-2338(200109/10)41:5<1345:QAOHAU>2.0.ZU;2-#
Abstract
The molecular topology model and discriminant analysis have been applied to the prediction of some pharmacological properties of hypoglycemic drugs us ing multiple regression equations with their statistical parameters. Regres sion analysis showed that the molecular topology model predicts these prope rties. The corresponding stability (cross-validation) studies performed on the selected prediction models confirmed the goodness of the fits. The meth od used for hypoglycemic activity selection was a linear discriminant analy sis (LDA). We make use of the pharmacological distribution diagrams (PDDs) as a visualizing technique for the identification and selection of new hypo glycemic agents, and we tested on rats the predictive ability of the model.