Application of topological and physicochemical descriptors: QSAR study of phenylamino-acridine derivatives
Abhilash Thakur, Mamta Thakur, Nitika Kakani, Ashok Joshi, Thakur Suprajnya ., Ashok Kumar Gupta · ARKIVOC · 2004
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.