for the activities of Ag and Ag-Ni (1:3), possibly due to the assumptions made during calculations regarding surface structure and variations in experimental conditions affecting the reaction kinetics and pathways. Thus, while the screening can identify promising directions for further study, they cannot substitute for experimental synthesis and characterization. Even with rapid advancements in theoretical capability and ML, it is important to keep in mind that such screening methods are still intended as a complement to experimental exploration rather than as a fully virtual screening protocol.