To transform the activity data into a binary format, compounds labeled as "Mixed" and "Unknown" in the ChEMBL data set were discarded, yielding two classes: "Inhibitor" = 1 and "No_Activity" = 0. Then, we computed Morgan Chiral of radius 2 (2048-bits) fingerprint with RDKit, and 19 drug-likeness descriptors from the Datamol library. These descriptors included Lipinski-related parameters and other pharmaceutically relevant properties: MW, CSP3, HBA, HBD, number of rings, number of heteroatoms, number of heavy atoms, number of rotatable bonds, TPSA, LogP,number of aliphatic carbocycles, number of aliphatic heterocycles, number of aliphatic rings, number of aromatic carbocycles, number of aromatic heterocycles, number of aromatic rings, number of saturated carbocycles, number of saturated heterocycles and number of saturated rings.