To describe the chemical and physicochemical context of the data set DataWarrior v. 5.5.0 software was used to calculate the number of H-donor bonds, number of H-acceptor bonds, number of rotatable bonds, molecular weight, cLogP, and topological surface area (TPSA) for each compound on the data set. Additionally, three types of structural/topological descriptors e.g Molecular ACCes System (MACCS) Keys, RDKit, and ECFP4 fingerprints were computed using the RDKit module implemented by python programming language.