While the main focus of the article is on modelling near-equilibrium closed-and open-shell structures, extending this work to describe the full minimum energy paths would be the next most impactful follow-up. Specifically in the context of BDE and site of metabolism prediction, reaction activation energies are expected to better correlate with the reaction rates and, consequently, to be a better predictor of the metabolite ratios. To demonstrate the feasibility of such a development, we slightly extend the initial training set and apply it to predict MEPs of methoxy radical-mediated hydrogen abstraction. The methoxy radical is a known simplified system for the direct estimation of the activation energy for the hydrogen abstraction reaction. To create the MACE NEB model, we took a subset of the full MACE training set, described in Section Train and Test sets, and extended it with some structures necessary for a Nudged Elastic Band (NEB) calculation. The two principal components of this extension were iso-