VIWMIZ belongs to the category of highly selective structures that undergo a selectivity drop at ambient pressure. When converting the free energy values to selectivity values, VIWMIZ has a selectivity of 62.8 at infinite dilution and 14.5 at ambient pressure. The ML model successfully predicts a close value of 12.0 for the ambient-pressure selectivity based on the given descriptor values. Specifically, the descriptor "G_0" has a highly negative value, which explains its relatively high negative contribution of -1.81. However, the contribu-tion of "G_900K" is relatively low at -0.57 compared to other materials (Figure ), as a value of -4.05 is not the most negative among all structures. Conversely, the remaining descriptors have positive contributions, which lead to the selectivity drop. For instance, the difference in pore sizes, "delta_pore", has a value of 1.38 Å (above the threshold of 0.23 Å), which contributes +0.25 to the predicted selectivity. This value aligns with the value ranges observed in the associated dependence plot. We performed similar analyses on the positive contributions of other descriptors shown in Figure by referring to the dependence plots: "pore_dist_std" is above the threshold of 0.4, "enthalpy_std_krypton" is above 2.5 kJ mol -1 , "pore_dist_neff" is above 2.3, "delta_TS0_298_900" falls below 3 kJ mol -1