Application of topological and physicochemical descriptors: QSAR study of phenylamino-acridine derivatives

Abstract

In the present investigation the applicability of various topological parameters are tested for the QSAR study on phenylamino-acridine derivatives. For the modeling of DNA binding affinity of phenylamino-acridine derivatives the regression analysis shows that even in the mono-parametric correlations the topological and physicochemical parameters give significant regression coefficients. Furthermore using combinations of topological, physicochemical parameters along with the indicator parameters, a tremendous improvement in the statistics has been observed. The results are critically discussed on the basis of regression data and cross-validation parameters.