For consistency in the tautomerization step, we used the ChEMBL 32 dataset (10.6019/CHEMBL.database.32), which includes approximately 2.3 million unique compounds, and performed checker and standardization (SC) step using the canSARchem pipeline . The resulting output molecules were then subjected to tautomerization step separately in both pipelines using the "ChemAxon Tautomers plugin" 4.4.0.v222000 and "rdMolStandardize.CanonicalTautomer()" module of RDKit 2023.03.2. To determine the number of molecules that were tautomerized for each toolkit, we calculated the Tanimoto similarity , between the input and output SMILES during tautomerization step using Morgan fingerprints (radius=2, nbits=2048, includeChirality=False) , . Molecules with a Tanimoto similarity of less than 1 were considered to have been tautomerized. The number of tautomerized molecules differed between ChemAxon and RDKit.