Consensus ranking and fragmentation prediction for identification of unknowns in high resolution mass spectrometry

McEachran, Andrew; Al-Ghoul, Hussein; Balabin, Ilya; Cathey, Tommy; Chao, Alex; Sobus, Jon; Williams, Antony

doi:10.23645/epacomptox.6990953.v1

AGRO fragmentation prediction and ranking_cleared.pdf (2.42 MB)

Consensus ranking and fragmentation prediction for identification of unknowns in high resolution mass spectrometry

presentation

posted on 2018-08-21, 18:30 authored by Andrew McEachran, Hussein Al-Ghoul, Ilya Balabin, Tommy Cathey, Alex Chao, Jon Sobus, Antony WilliamsAntony Williams

Presentation at American Chemical Society Fall meeting Aug 2018

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Center for Computational Toxicology and Exposure

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CompTox Dashboard DSSTox non-targeted analysis HRMS high resolution mass spectrometry Toxicology

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Consensus ranking and fragmentation prediction for identification of unknowns in high resolution mass spectrometry

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