The RF regressor was the model that exhibited the worst performance among all the models proposed in this work. Despite its performance, however, the model can be explained using the SHAP explainer (the resulting plot is shown in Figure ). The parameters are sorted by the importance or impact on the model prediction. The most critical factor identified was pressure, and the generalization analysis confirms this result. Temperature is rated as the fourth most relevant factor, followed by the molar ratio of the HBD molecule in the DES mixture. MACC key features such as 128, 129, and 108 presented in the HBA molecules positively impact the model predictions. The keys 128, 129, and 91 in HBD molecules also improve the final solubility. The key features 74 and 93 of the HBA and the HBD keys 72, 54, 91, and 131 negatively impact the model prediction. In Figure , the key features were mapped and highlighted in some HBA and HBD found in this work.