While the knowledge of overall Molecular F1 score is useful for comparing models to one another, it does not represent the more stringent criterion of whether a given method produces all functional groups within a given molecule without error. Therefore, we have devised a second metric termed 'Molecular Perfection Rate' to rigorously measure the accuracy of our model on a per molecule basis. To calculate this metric, we compare the known functional groups to the predicted functional groups. If the predicted functional groups perfectly match the defined functional groups of the target molecule, then the molecule prediction pair is assigned a Molecular Perfection of 1; otherwise, it is assigned a Molecular Perfection of 0. The 'Molecular Perfection Rate' for each validation set is calculated as the sum of all individual 'Perfections' values divided by the total number of molecules. This metric can also represent the percentage of all molecules with a Molecular F1 score of 1.0, as shown in Figure .