The parity plot (Figure ) of actual versus predicted adsorption highlights how the IP-informed GP performs when predicting adsorption. Most points cluster tightly around the diagonal, indicative of low bias and relatively uniform prediction quality. Only a handful of outliers, typically at higher adsorption values (>1000 cm 3 (stp)/gr framework), exhibit larger discrepancies; an unsurprising outcome given the rarity of such extreme structures in the training set. Overall, the strong alignment in the parity plot, along with a 𝑅 2 of 0.973 and mean absolute error (MAE) of 3.38 cm 3 (stp)/gr framework signifies that coverage-driven IP selection provides a solid foundation for the GP model to generalize.