Molecular descriptors. To develop machine learning models, we applied Dragon descriptors and Bayesian regularized artificial neural network with a Laplacian prior (BRANNLP) were implemented as feature selection methods in the CSIRO-Biomodeller package . These sparse feature selection algorithms based on Laplacian priors can optimize the balance between variance (model complexity) and bias (model simplicity), and automatically remove the less relevant descriptors from model by giving zero weight to them. These algorithms are very similar to LASSO method and are based on L1 regression approach . for degrees of freedom, in the training and test set, respectively .