The next considered algorithm of the MD selection is the Boruta algorithm . The reproducibility of the MD selection is quite high in this case. We performed 200 repeats with random exclusions of 25 molecules from the data set and each time we performed 80 rounds of the Boruta algorithm. For Bis4MPyC6, there are 11 MD (SMR_VSA7, LabuteASA, ExactMolWt, BCUT2D_MRHI, FractionCSP3, VSA_EState6, HeavyAtomMolWt, BertzCT, SlogP_VSA6, Ipc, fr_benzene) that are considered as important in all repeats and in all rounds of the Boruta algorithm.