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Tetko, I.V. ; Godin, G.* ; Jablonka, K.M.* ; Mirza, A.* ; Patiny, L.*

Consensus prediction of chemical reactions with OCHEM-R platform.

In: (Artificial Neural Networks and Machine Learning. ICANN 2025 International Workshops and Special Sessions). Berlin [u.a.]: Springer, 2026. 45-52 (Lect. Notes Comput. Sc. ; 16072 LNCS)
DOI
Here we describe the OCHEM-R platform, developed to propose chemical pathways based on a consensus prediction of retrosynthetic pathways using eight different methods. The developed software allows users to visualize predicted reactions and identify similar reactions using retrieval augmented generation (RAG) . The platform is publicly available at https://ochem.eu.
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Publikationstyp Artikel: Konferenzbeitrag
Schlagwörter Llm ; Multistep Reaction Prediction ; Pathway Visualization ; Reaction Explanation
ISSN (print) / ISBN 0302-9743
e-ISSN 1611-3349
Konferenztitel Artificial Neural Networks and Machine Learning. ICANN 2025 International Workshops and Special Sessions
Zeitschrift Lecture Notes in Computer Science
Quellenangaben Band: 16072 LNCS, Heft: , Seiten: 45-52 Artikelnummer: , Supplement: ,
Verlag Springer
Verlagsort Berlin [u.a.]
Institut(e) Institute of Structural Biology (STB)