For external validation, we tested the final model using the ChEBI database molecules not included in the Training dataset from experiment 3. Lexichem software from OpenEye was used here to generate the IUPAC names for the molecules found on the ChEBI dataset. A diverse set of 1,500 examples was selected from this dataset. SMILES with lengths exceeding 600 characters were removed, resulting in 1,485 data points. The IUPAC names for these data points were generated using OpenEye Lexichem and then predicted using the STOUT models trained on datasets of 50 million, 100 million, and approximately 1 billion samples.