The challenging task of retrosynthesis can be simplified to a selection problem utilising reaction templates. Generally, the aim of template-based models is to find the most relevant template T * out of an existing pool, known as the template library. The template library is nowadays curated automatically from literature precedent thanks to RDChiral, a tool devised by Coley et al. . Any given template T in the library is defined by molecular subgraphs o T and r T i (where i ∈ {1, 2, 3, . . . , N }, N =#reactants) within the product and reactant molecules, respectively: