Original Articles
B. N. Singh,Kalpana Singh and
Abstract
The various QSAR models have been developed to predict the activities in terms of log 1/C for 11 Rat Liver Angiotensin II Antagonists compounds with the help of quantum chemical and energy descriptors viz. heat of formation, Gibbs free energy, Molar Refractivity, HOMO energy, LUMO energy, absolute hardness, Softness, Chemical Potential and electronegativity. The parameter adopted in this calculation is the semi-empirical PM3 based. The QSAR model sixth provides a good arrangement between obs log 1/c & predicted activity