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Paper Details

QSAR Study of Thiobenzamides using Topological Descriptors

P. P. Singh1*, U. P. Singh2 and Dhruv Chandra Shukla2

Journal Title:Journal of Chemical, Biological and physical sciences

MLR analysis of the four sets of thiobenzamides for the prediction of activity of the derivatives of thiobenzamides against MIC with M. Avium, M. Tuberculosis, M. fortuitum and M. kansasii have been done using the topological descriptors viz. shape index (basic kappa, order 1), shape index (basic kappa, order 2), shape index (basic kappa, order 3), connectivity index (order 0, standard), valence connectivity index (order 0, standard), solvent accessibility surface area, molar refractivity and Log p. Maximum number of descriptors used in MLR analysis is 4 and total number of MLR analysis done for each set is 160. Best QSAR models developed for the four sets have the value of regression coefficient greater than 0.7 indicating the reliability of the model.