Additionally, the figures display the scores of the model with the highest mean score across all functional groups. . As there are multiple functional groups involved, different models achieve the best scores for different functional groups. In Figures and, we display each model with the best scores for every functional group along with the model that has the best scores in terms of mean scores of all functional groups. Even though the fully connected model performs well enough for most of the functional groups, it underperforms for the nitrile group.