The ethylene selectivity values for the bimetallic systems Pd (1-x M ) M x M were predicted based on Eq. 6. To make these predictions, all parameters appearing in Eq. 6 need to be specified. However, the experimental parameters w metal and D µ are unknown for materials that were not yet synthesized and characterized. In order to make the predictions, we assume w metal and D µ to be equal to the mean values of these parameters in the training set, i.e., 0.012 and 5.67 nm, respectively. Thus, the predictions of Fig. and The color scale in the (x M ,M ) composition matrix of Fig. and C reflects the S SISSO C2H4 values at T oven = 150 • C for t OS 40 and 400 min, respectively. For t OS = 40 min, the materials containing high amounts of ruthenium, silver, and gold present S SISSO C2H4 > 0. For t OS = 400 min, the ethylene selective increases, and some compositions with high x M based on iron, cobalt, and copper also reach S SISSO C2H4 > 0. However, iron-, cobalt-, copper-, silver-, and gold-based materials with high x M do not satisfy the SG rules for high X C2H2 shown in Fig. . Thus, the AI models indicate that bimetallic systems based on these metals could be selective at the expense of a lower (possibly close-to-zero) activity. Among the considered bimetallic systems, the ruthenium-based materials with high x M are predicted to be the most selective ones. For instance, the bimetallic material with x Ru = 90% is associated to S SISSO C2H4 = 0.95 for t OS = 400 min. This material is also predicted to be highly active according to the SG rules shown in Fig. . However, Ru-Pd systems are not expected to be miscible at any composition according to the phase diagram. Alternatively, the SISSO model indicates that silver-based materials with x M higher than 90% might be even more selective than the material with the highest selectivity in the training set, Pd 1 Ag 9 .