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
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.