The grid of electrostatic potential is generated by the Gasteiger or MMFF partial atomic charges calculated with RDKit (AllChem.ComputeGasteigerCharges() or GetMMFFPartialCharge(), respectively). A grid is made of cubes, and the electrostatic potential EP at each cube c is obtained as a It was observed that for some molecules, and some GETAWAY, MORSE and WHIM descriptors, different values were obtained with the same RDKit version (2022.9.5) in different runs or in different operating systems. An example was with the 3D structure generated for COc1ccc(cc1(OC))Br.