In this work we have used a monopartite graph representation of the chemical reaction space for the link prediction task. In it, the reactant molecules are represented as nodes and the observed reactions are signified by the undirected links connecting them, see Figure . As one link can connect exactly two nodes (reactants), only chemical reactions with exactly two reactants are included in the monopartite graph. For the same reason, this also excludes additional context such as chemical reagents from consideration. Further, we are restricting this work to only include reactions which have exactly one product. The CRKG employed in this work encodes a subset of 673,390 patented chemical reactions that were extracted from the USPTO dataset. These reactions use 402,435 unique reactants to synthesizes a total of 662,228 unique products. This results in a graph with 402,435 nodes (reactant molecules) and 669,237 links (reactions).