1. Forward reaction prediction and retrosynthesis: For a given input format, the model is tested with generating outputs in both SMILES and IUPAC representations. For SMILES input (x S ), the model generates SMILES (y x S S ) and IUPAC outputs (y x S I ); for IUPAC input (x I ), the model generates SMILES (y x I S ) and IUPAC output ((y x I I )).