Qsar Study of Rabbit Aortic Angiotensin II Antagonists Compounds Using Different Descriptors
Singh Kalpana, Kaleem Ahmad · 2013
For present study, the various QSAR models have been developed to predict the activities in terms of log 1/C for 11 Rabbit Aorta 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 and predicted activity.