The template graphs are transformed into DPO rules, encoded in GML format for direct use with MØD. In order to check the validity and usefulness of the extracted rules, we apply a rule to a set of reactants of a known reaction and check whether the application of the graph rewriting rule recovers the expected products. ITS graphs also implicitly encode the reverse of a reaction. To this end, it suffices to exchange the first and second coordinates of the edge labels. Making use of this symmetry, we also tested whether the application of the reverse rule to a set of product molecules could recover the reactants.