Experimental evaluation of the ORDerly-forward and ORDerly-retro benchmarks was performed using the Molecular Transformer architecture built by Schwaller et al. . To switch from forward prediction to retrosynthesis prediction no changes to the transformer architecture were necessary, only the data was changed. The ORDerly-condition benchmark was evaluated together with the impact of different approaches to reaction role assignment and frequency filtering using the neural network architecture built by Gao et al. .