The inhibitory activity of aldose reductase of flavonoids compounds. Combining DFT and QSAR calculations

This study shows that the MLR and MNLR have served to predict activity, but when compared with the results given by the ANN model, we concluded that the predictions achieved by this latter is more effective and much better than other models. The statistical results indicate that the ANN model is statistically significant and shows very good stability towards data variation in the validation method. The contribution of each descriptor to the structure-activity relationship is evaluated
Source: Journal of Taibah University for Science - Category: Science Source Type: research