Agentic AI for Structural Elucidation and Discovery of Drug Metabolites from Mass Spectrometry Data.

Wang X, Patan A, Zhao HN, Charron-Lamoureux V, Shin Y, Petras D, Hong Y, Bowen BP, Northen TR, Dorrestein PC, Wang M

Open source

DOI
10.64898/2026.06.23.734138
Published
2026 Jun 26
Container
bioRxiv : the preprint server for biology
Publisher
Not recorded
Open access
yes

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BibTeX

@article{allodium:10.64898/2026.06.23.734138,
  title = {Agentic AI for Structural Elucidation and Discovery of Drug Metabolites from Mass Spectrometry Data.},
  author = {Wang X and Patan A and Zhao HN and Charron-Lamoureux V and Shin Y and Petras D and Hong Y and Bowen BP and Northen TR and Dorrestein PC and Wang M},
  year = {2026},
  journal = {bioRxiv : the preprint server for biology},
  doi = {10.64898/2026.06.23.734138},
  url = {https://doi.org/10.64898/2026.06.23.734138}
}

RIS

TY  - JOUR
TI  - Agentic AI for Structural Elucidation and Discovery of Drug Metabolites from Mass Spectrometry Data.
AU  - Wang X
AU  - Patan A
AU  - Zhao HN
AU  - Charron-Lamoureux V
AU  - Shin Y
AU  - Petras D
AU  - Hong Y
AU  - Bowen BP
AU  - Northen TR
AU  - Dorrestein PC
AU  - Wang M
PY  - 2026
JO  - bioRxiv : the preprint server for biology
DO  - 10.64898/2026.06.23.734138
UR  - https://doi.org/10.64898/2026.06.23.734138
ER  - 

APA

X, W., A, P., HN, Z., V, C., Y, S., D, P., Y, H., BP, B., TR, N., PC, D., & M, W. (2026). Agentic AI for Structural Elucidation and Discovery of Drug Metabolites from Mass Spectrometry Data.. bioRxiv : the preprint server for biology. https://doi.org/10.64898/2026.06.23.734138

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