When normalized by oxidation state, they also enabled the development of an accurate machine learning (ML) model with a mean absolute error (MAE) of only 0.28 eV. However, we have also observed notable deviations for weakly bonded d 0 metals, or where a significant structural or magnetic change occurred during the adsorption. We have also speculated that used default pseudopotentials in our COHP workflow might play a role in the observed deviations. Additional tests of bulk ICOHP approach on mixed metal-oxide systems (unpublished) also revealed higher sensitivity to large electronic and structural changes, what we now refer to as secondary effects of the adsorption. For these reasons, we have been motivated to analyze and quantify the full extent of these effects in capturing the adsorption.