Author

Ivayla Roberts

University of LiverpoolORCID 0000-0003-3525-9787Unclaimed ORCID profile · follow to get notified of new preprints

Biology Disciplines

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Signature Assays, Organisms & Methods

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Approach:deep learning· 1 Research Focus:drug response / drug discovery· 1 Assay:metabolomics· 1 Approach:transformer / foundation model· 1

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Aditya Divyakant Shrivastava· 1 shared Douglas Bruce KelliD· 1 shared Marina Wright MuelasiD· 1 shared Neil SwainstoniD· 1 shared Soumitra SamantaiD· 1 shared

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2021-2021 · peak 1/yr

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5 top collaborators · 10 mutual co-author links

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1 shared paperBioinformatics

Aditya Divyakant Shrivastava

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1 paper

Recent·Most cited

BioinformaticsBiomoleculesPeer-reviewedNov 30, 2021

MassGenie: a transformer-based deep learning method for identifying small molecules from their mass spectra

Aditya Divyakant Shrivastava, Neil Swainston, Soumitra Samanta…·Douglas Bruce Kell

MassGenie uses a transformer-based deep learning model to predict small molecule structures from mass spectra, achieving accurate results without explicit fragmentation rules.

87 citationstop 2%

metabolomicsdeep learning

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