Lastly, we showcase the importance of the underlying dataset when predicting the regioselectivity of enzymatic reactions. We again use the single-product versions of RHEA, MetAMDB and EnzymeMap described above for the template-relevance model. For EnzymeMap, only reactions obtained via a direct, single rule application were used. For all reactions in the respective datasets, reaction templates were extracted via RDChiral. The templates were then applied to the reactants, and all reactions were kept that produced more than one possibility for the products. Thus, regioselective reactions were identified, i.e. where multiple sites could have reacted in theory. Recorded reactions were labeled "1" and all other reactions as "0" For example, if the application of a rule extracted from reactants1>>products1 produced products1, products2, and products3, the following three lines were added to the dataset: