In silico prediction of dermal penetration rate of chemicals from their molecular structural descriptors

Graphical abstract The term “artificial neural network” denotes a computational structure intended to model the properties and behavior of the brain structures, particular self-adaptation, learning and parallel processing. Highlights ▸ The results of developed models revealed that there is no significant difference between non-linear and linear models in the prediction of dermal penetration rate of various chemicals. ▸ The results of this study indicated the ability of QSAR in prediction of dermal penetration rate of various chemicals from their theoretically derived molecular descriptors. ▸ The result of this study reveals the superiority of developed model over the previous reported model.