Additionally, a Tanimoto similarity calculation was performed using PubChem fingerprints, employing the Chemistry Development Kit (CDK) implementation, to compare the original and predicted molecular structures. This approach helped to assess the similarity between the predicted chemical structure and the original one, even when the model's SMILES prediction was inaccurate. This method is particularly valuable because not all predicted molecules precisely match the original, and a quantitative measure aids in understanding the model's performance in interpreting chemical structure depictions. As a result, this comprehensive evaluation approach enhances our understanding of the model's generalisation capabilities.