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QSAR Study of Rabbit Aortic Angiotensin II Antagonists Compounds ising Different Descriptors

Author Affiliations

  • 1Department of Chemistry, Kisan PG College Bahraich, UP, INDIA
  • 2Department of Chemistry, Mahila PG College Bahraich, UP, INDIA

Res.J.chem.sci., Volume 3, Issue (4), Pages 81-83, April,18 (2013)

Abstract

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.

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