Comparative QSAR and QPAR study of benzodiazepines
Mamta Thakur, Abhilash Thakur, P Sudele · Indian Journal of Chemistry Section B-organic Chemistry Including Medicinal Chemistry · 2004
Efforts have been made to study the QSAR as well as QPAR of benzodiazepines by using graph theoretical indices and physicochemical properties, respectively. The best model for mathematical calculation of biological activity under consideration is derived in multivariate form using multiple linear regression method. Finally two separate equations developed, one contained graph theoretical indices with r value 0.7063 while other contain physicochemical properties as predictor variable with r value 0.8153. Both, models are significant to understand QSAR and QPAR of benzodiazepine.