Moreover, it is important to keep in mind that there is some uncertainty at the link prediction as well as for the product prediction, as neither of the models perform perfect predictions. At the product prediction step, Chemformer will always generate a product given a set of reactants, even if the reactants are unlikely to react. Given that the reactivity prediction is preceding the product prediction we are more confident that the reactants provided should be able to react under some conditions. Thus, the predicted reactions should not be considered as ultimately true but rather as suggestions for new, potential reactions which could possibly expand the currently available chemical space.