PREDICTION OF PHYSICAL AND CHEMICAL-PROPERTIES BY QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIPS

Authors
LIANG C GALLAGHER DA
Citation
C. Liang et Da. Gallagher, PREDICTION OF PHYSICAL AND CHEMICAL-PROPERTIES BY QUANTITATIVE STRUCTURE-PROPERTY RELATIONSHIPS, American laboratory, 29(6), 1997, pp. 34
Citations number
10
Categorie Soggetti
Instument & Instrumentation","Chemistry Analytical
Journal title
American laboratory → ACNP
ISSN journal
00447749
Volume
29
Issue
6
Year of publication
1997
Database
ISI
SICI code
0044-7749(1997)29:6<34:POPACB>2.0.ZU;2-I
Abstract
A model is developed to predict water solubilities for both analogs an d broad ranges of compounds from only theoretically derived descriptor s and with as few descriptors as possible to avoid overfitting.