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bioRxiv · 10.1101/2025.05.20.655109

ChemBERTaPolyPharm: Modeling polypharmacy side effects with ChemBERTa and PubMed Encoders

Gromova, A. A.·Maida, A. S.
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Abstract

Polypharmacy side effects occur when drug combinations trigger unexpected interactions, altering therapeutic outcomes. During which the activity of one drug may change favorably or unfavorably if taken with the other drug. Drug interactions are rare and are only observed in clinical studies. Thus, the discovery and detection of polypharmacy side effects remains a challenge. Our approach achieves an impressive average F1 score of 0.93, demonstrating its efficacy in capturing drug interaction patterns. 1 Submission of papers to NeurIPS 2025Please read the instructions below carefully and follow them faithfully.

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Gromova, A. A., Maida, A. S.. 2025-05-25. ChemBERTaPolyPharm: Modeling polypharmacy side effects with ChemBERTa and PubMed Encoders. https://doi.org/10.1101/2025.05.20.655109

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