QSAR study for inhibitory activities of Phosphodiesterase

A quantitative structure-activity relationship (QSAR) study has been done on the inhibitory activity of some phosphodiesterase. QSAR models were based on multiple linear regression (MLR), genetic algorithm (GA) and successive projection algorithm (SPA). First, stepwise MLR was used as a linear descriptor selection procedure and then SPA and GA was employed as a non-linear descriptor selection method. Finally, selected descriptors were employed for constructing model by supported vector regression (SVR) and MLR techniques. Comparison of the statistical results after cross validation was indicated the priority of nonlinear methods to MLR models.