Additionally, we investigate whether the distances can be explained by the difference between canonical and random SMILES. No significant differences are found between distances of canonical and a randomly chosen random SMILES in most models. Some exceptions were found, as determined by the Mann Whitney U test (Table ): CAT and AttCAT for encoder-only ME2C; encoder-decoder C2C AttGrads; encoder-decoder R2C Rollout and AttGrads; encoder-decoder E2C Attention Maps; encoder-decoder MC2C IG and SHAP. In these models the populations do look similar (Figure ), but results of these method-model combinations could possibly be explained by randomization attribution differences.