Fig. 6
From: Domain adaptation of a SMILES chemical transformer to SELFIES with limited computational resources
Representative predictions from the ESOL and FreeSolv test sets using the SELFIES FT model. Predicted values reflect known solubility and hydration trends, with polar structures ranked higher in ESOL and more negative in FreeSolv. The observations align with chemical intuition and demonstrate that the model produces interpretable outputs across structurally diverse molecules.
