QSAR model development for solubility prediction of Paclitaxel

Abstract

QSAR model for the prediction of solubility of Paclitaxel derivatives has been developed by using the statistical methods. Geometry optimization has been done at PM6 on Gaussian software. Non-linear multi-colinearity regression analysis was performed and a QSAR model was obtained with R2 of 0.729 and RMSE of 1.96.