Author

Harish Prabakaran

Centre National de la Recherche Scientifique

Listed by name: these papers carry no ORCID for this author, so different people with the same name may be mixed together.

Biology Disciplines

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Bioinformatics· 2

Signature Assays, Organisms & Methods

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Research Focus:benchmarking· 2 Approach:machine learning (classical)· 2 Approach:statistical model· 2 Research Focus:drug response / drug discovery· 1

Frequent Co-Authors

Antoine TalyiD· 2 shared Etienne RebouliD· 2 shared Jérôme WaldispühliD· 2 shared Zoe Wefers· 1 shared

Activity by Year

2025-2026 · peak 1/yr

Co-Author Collaboration Network

4 top collaborators · 6 mutual co-author links

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2 shared papersBioinformatics

Antoine TalyORCID

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2 papers

Recent·Most cited

Can SMILES be fragmented into a concatenable ordered sequence of retrosynthetically interesting string block ?

Etienne Reboul, Harish Prabakaran, Jérôme Waldispühl, Antoine Taly

The paper tests if SMILES can be fragmented into ordered blocks for retrosynthetic analysis, finding that it improves physico-chemical property reproduction but degrades LLM performance.

bioRxiv · Aug 28, 2026 · PreprintBioinformatics

Improving the reliability of molecular string representations for generative chemistry

Etienne Reboul, Zoe Wefers, Harish Prabakaran, Jérôme Waldispühl, Antoine Taly

This study evaluates SMILES and SELFIES as molecular representations for generative chemistry, finding that neither ensures both viability and fidelity, and introduces ClearSMILES to improve both.

Journal of Chemical Information and Modeling · Sep 17, 2025Peer-reviewedBioinformatics