First, we started with an exploratory data analysis of the pericyclic subset of BH9 and the connection between specific structural elements and the observed variation in the activation energy values computed across the set of exchange-correlation functionals probed. Figure illustrates that DA is the most common reaction type in the dataset, followed by electrocyclic reactions, RR, and DC. At first glance, it seemed that reactions involving highly conjugated systems exhibited a more significant activation energy variability across several functionals, while intramolecular reactions appeared to exhibit a less pronounced variability (Fig. ).