It is apparent from the Table that all oxidations share a high degree of cosine similarity, especially when compared to the other reactions studied. This is indeed significant, considering that in a high-dimensional space (128-D) it is increasingly likely that any two random vectors are orthogonal. It can be shown that the dot product of normally distributed vectors in D dimensions are strongly centered at cos(θ ) = 0, with a standard deviation of σ = 1/D. For our 128-dimensional latent space, deviation from orthogonality of a normal distribution is 0.008. Thus the co- The scatterplot around the arrows comes from QM9's carbon embeddings which naturally separate based on functional groups and have been greyed out except for the embeddings that resemble the reaction center embeddings for reactant and product, ex. all other alkanes and alkenes in QM9. The colors represent the functional groups for alkanes, alkenes, alkynes, alcohols, carbonyls, methines of the diels-alder product, amides, and carboxylic acid. Results of the neighbor test using the average reaction vector to transform reactants to products. If the product obtained using the average reaction vectors estimate is indeed nearest to the true product's embedding from the GNN space in a Euclidean sense, then it counts as a success to the neighbor test.