“…[15][16][17][18][19][20][21] This opens an opportunity to develop quantitative structure -property relationships (QSPR) linking the stability constants with the structure of ligands which, in turn, can be used for computeraided design of new metal binders. [22,23] To date, QSPR modeling of stability constants of the metal -ligand complexation was performed for alkali, [24][25][26][27][28][29][30][31][32] alkaline-earth, [32][33][34][35][36][37][38] rare-earth [39][40][41][42] and transition metal [23,34,36,37,40,[43][44][45] ions. In many cases the practical application of the reported QSPR is complicated due to the lack of complete information about descriptors' calculations and details of machine-learning method implementation.…”