Modeling physical and toxicity endpoints of alkyl (1-phenylsulfonyl) cycloalkane-carboxylates using the Ordered Predictors Selection (OPS) for variable selection and descriptors derived with SMILES

► The alkyl(1-phenylsulfonyl)cycloalkane-carboxylates are widely studied in QSA(P)R. ► A data set with 28 derivatives was used to develop new models for six endpoints. ► OPS variable selection method and SMILES derived descriptors were used in this study. ► The obtained models is in accordance to the OECD principles.