In the research, novel molecular descriptors were introduced by modifying traditional atom pairs to contain information from quantum chemistry. The biggest improvements in validation metrics were obtained when models performed regression tasks -in 5 out of 6 databases there was an improvement in mean values of metrics. U Mann-Whithney test confirmed that in 3 cases the results obtained in cross-validation folds were significantly different. In contrast to quantum chemical calculations of whole molecules and applying them as molecular descriptors, the generation of quantum atom pairs is a rapid and easy process.