The test datasets were split into meaningful segments, and character splits, resulting in three more testing datasets. Six combinations of test datasets were generated in total. Table provides a comprehensive summary of the test datasets corresponding to the training datasets. As mentioned before, a test dataset of 1 million data points was selected from the downloaded data set from PubChem. After filtering this set to match the maximum lengths of IUPAC names and SMILES, 834,774 molecules remained.