Discrimination and molecular design of new theoretical hypolipaemic agentsusing the molecular connectivity functions

Citation
Ra. Cercos-del-pozo et al., Discrimination and molecular design of new theoretical hypolipaemic agentsusing the molecular connectivity functions, J CHEM INF, 40(1), 2000, pp. 178-184
Citations number
22
Categorie Soggetti
Chemistry
Journal title
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES
ISSN journal
00952338 → ACNP
Volume
40
Issue
1
Year of publication
2000
Pages
178 - 184
Database
ISI
SICI code
0095-2338(200001/02)40:1<178:DAMDON>2.0.ZU;2-4
Abstract
The molecular topology model and discriminant analysis have been applied to the prediction and QSAR interpretation of some pharmacological properties of hypolipaemic drugs using multivariable regression equations with their s tatistical parameters. Regression analysis showed that the molecular topolo gy model predicts these properties. The corresponding stability (cross-vali dation) studies done on the selected prediction models confirmed the goodne ss of the fits. The method used for hypolipaemic activity selection was a l inear discriminant analysis (LDA). We make use of the pharmacological distr ibution diagrams (PDDs) as a visualizing technique for the identification a nd design of new hypolipaemic agents.