Notably, for Rifampicin, a chemical structure previously unseen by the model (Figure ), it successfully reproduced observed in the experiment solubility crossover at a pressure of 180 bar. Overall predictions for this compound were excellent at lower pressures, but less accurate at higher ones. The structure of Teriflunomide was familiar to the model, but predictions were made for new conditions (300 bar across several temperatures), leading to slightly underestimated solubility values when comparing to the experimental ones.