We also apply the thermodynamics-based model to a combined quinone and hydroquinone dataset (SI Section: Combined Quinone + Hydroquinone Dataset). We find the combined quinone + hydroquinone dataset has a similar mean test set AAE (40.5 °C) to the quinone dataset (41.1 °C), and therefore higher mean test set AAE than that of the hydroquinone dataset (35.4 °C) . This indicates that there is value in keeping the models separate, as T m prediction for the hydroquinones becomes worse by combining the datasets. We expect the strength of the intermolecular interactions between quinone molecules to differ from those of hydroquinones, and these relationships to be reflected in the model parameters. Applying the same model to both datasets results in an averaging of these interactions, leading to less accurate melting point predictions.