Furthermore, the other contributions align with the rules suggested by the SHAP dependence plots, and no apparent anomalies are detected. The combined effects of all the descriptors result in a lower free energy value, leading to the conservation of selectivity at higher pres-sure. The set of descriptor values for this structure significantly differs from the previous one, with many values contributing to opposite domains. This disparity allows the model to differentiate between highly selective structures and identify those that will maintain their selectivity at higher pressure.