Author

David Elser

Centre National de la Recherche ScientifiqueORCID 0000-0002-3491-7111Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Bioinformatics· 1

Signature Assays, Organisms & Methods

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Approach:deep learning· 1 Assay:metabolomics· 1

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Emmanuel GaquereliD· 1 shared Florian HuberiD· 1 shared

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2023-2023 · peak 1/yr

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2 top collaborators · 1 mutual co-author link

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1 shared paperBioinformatics

Emmanuel GaquerelORCID

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1 paper

Recent·Most cited

BioinformaticsbioRxivPreprintJul 6, 2023

Mass2SMILES: deep learning based fast prediction of structures and functional groups directly from high-resolution MS/MS spectra.

David Elser, Florian Huber, Emmanuel Gaquerel

Mass2SMILES predicts chemical structures and functional groups from MS/MS spectra using a deep neural network, achieving high accuracy and speed for metabolomics data.

12 citations

metabolomicsdeep learning

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