Studies

CellWell record HH-149649

Classification of Thyroid Peroxidase (TPO) Inhibitors Using Transfer Learning with SMILES Embeddings

Geven Piir; Sulev Sild; Eliana Spilioti; Dimitra Nikolopoulou; Effrosyni Katsanou; Ingrid Langezaal; Uko Maran

2026

In plain language

A machine learning model using SMILES embeddings generated by specialized language models achieved superior performance in predicting thyroperoxidase inhibition compared to traditional molecular descriptors.

Evidence
Emerging
Design
Primary research (design unspecified)

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