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.