Figure illustrates the distribution of reaction classes in the three prediction sets as well as USPTO for reference. We observe that our method can generate reactions of varied classes, although less diverse compared to the USPTO reactions. For example, some of the classes are more common amongst the predicted reactions such as class N-acylation to amide and Suzuki coupling which together account for 40% of the predicted reactions, while the two most common classes in USPTO (N-acylation to amide and O-substitution) account for 29% of the reactions. Why we observe less diverse reaction could be explained by the smaller set of reactants used for the predictions compared to USPTO, because of our initial sampling of reactants.