QSAR analysis of the toxicity of phenols and thiophenols using MLR and ANN

This study shows that the results obtained by MLR were suitable and have served to predict toxicity, but compared to the results of the ANN model, we conclude that the prediction achieved by the latter is more effective and better than MLR model. The statistical results of the predictive performance indicate that the ANN model is statistically significant than the previous reported model based on CART-LS-SVR. Following to the obtained results, our proposed model may be useful to predict of toxicity and risk assessment of chemicals.