The molecules in each dataset were processed using RDKit () and saved as canonical SMILES strings. During this processing we removed salts and stereochemical information from the molecules. In addition, to reduce the degree of data heterogeneity, we only retained compounds with SMILES strings between 10 and 74 characters in length. After completing these steps, we obtained a pre-trained dataset containing 504,853 SMILES strings and a fine-tuned dataset containing 36 SMILES strings.