Zankov D.V.; Matveieva M.; Nikonenko A.V.; Nugmanov R.I.; Baskin I.I.; Varnek A.; Polishchuk P.; Madzhidov T.I.
(2021)
Modern QSAR approaches have wide practical applications in drug discovery for designing potentially bioactive molecules. If such models are based on the use of 2D descriptors, important information contained in the spatial ...