Compounds from chromophores database were examined if they contain substructures from QM9 database using RDKit built-in function of substructure recognition. In order to provide machine learning models with more features, in order to improve their prediction capabilities, various additional quantities were calculated from substructures quantum properties. Karelson et al covered usage of quantum modelling calculations as descriptors in QSAR/QSPR research, although the calculations were prosecuted with whole molecules not their fragments.