Let us illustrate the two-step focused AI approach by modelling the selective hydrogenation of acetylene to ethylene on oxide-supported metal nanoparticle (NP) alloys. In particular, we consider the selective hydrogenation of acetylene in highly concentrated equimolar acteylene-ethylene streams (ca. 14 vol.-% each in hydrogen excess), which would result from a hypothetical electric plasma-assisted methane-to-ethylene conversion plant. The mentioned plasma-assisted process can enable the production of ethylene from natural gas, biogas or hydrogenated CO 2 using the short-term surpluses in electricity from renewable sources. However, acetylene is formed as a by-product in equimolar concentrations to ethylene and it needs to be selectively converted to ethylene in a dedicated, separate downstream process. New catalyst materials are required for this purpose, as the reaction conditions differ significantly from the processes for selective hydrogenation of acetylene traces (<2 vol.-%) formed in ethylene streams coming from the steam-cracking of naphtha. As highly reactive compound, acetylene is prone to poison catalysts in the downstream processing of ethylene, e.g., polymerization to polyethylene. Therefore, acetylene has to be removed almost completely from the ethylene streams (down to < 5 ppm). We note that studying catalyst reactivity at industrially relevant elevated pressures used for the hydrogenation of concentrated acetylene streams requires specific safety measures due to the high exothermicity of the reaction and the explosive characteristics of the compounds involved. Difficulties to implement those safety measures into analytical techniques impede the use of in situ spectroscopy for catalyst characterization under reaction conditions. This prevents the detailed study of the catalyst structure and properties during t OS under realistic conditions.