QSAR models for oxidation of organic micropollutants in water based on ozone and hydroxyl radical rate constants and their chemical classification

► QSAR models for ozonation based on multi-linear regression. ► Pi-bonds, halogen surface area, ionisation potential were QSAR-defining descriptors. ► Compounds classification in prediction plots were performed. ► Internal and external validations of the models were performed. ► Mechanistic interpretation of the models was studied.