In this section, we demonstrate the efficacy of our method by applying it to predict novel reactions in the CRKG and thus expand the chemical space. This is followed by an analysis of the reaction classes and the drug-likeliness of the compounds. In addition, the compounds were screened for potential DRD2 modulators. DRD2 has been selected for two reasons: (i) it is a validated drug target for which many ligands are publicly available in the literature, (ii) it has been found as convenient target to benchmark de novo design studies , . There is no reason to expect an enrichment in DRD2 modulators specifically amongst the predicted compounds as no specific biological data has been considered for the CRKG construction. Still, it would be interesting to learn if our method could generate potential novel active DRD2 molecules starting from random reactants. The following section will outline the process and the evaluation of the generated compounds and the corresponding forming reactions.