Piir, G.; Sild, S.; Spilioti, E.; Nikolopoulou, D.; Katsanou, E.; Langezaal, I.; Maran, U. Classification of Thyroid Peroxidase (TPO) Inhibitors Using Transfer Learning with SMILES Embeddings. Chem. Res. Toxicol. 2026, 39, 1166-1177.
Compound
| ID: | 3853 | |
|---|---|---|
| Name: | Structure with ID: 3853 | |
| Description: | ||
| Labels: | ||
| CAS: | ||
| InChi Code: |
Properties
TPO_inhibition: Thyroid peroxidase inhibition
| Value | Source or prediction |
|---|---|
| inhibitor |
experimental value |
| inhibitor |
Table5: The final model (Training set) |
| inhibitor |
Table5: The final model (Out of bag set) |