DOE OSTI · code-80693
EMSL-Computing/PeakDecoder
Abstract
PeakDecoder is a machine learning (ML)-based metabolite identification algorithm for multidimensional mass spectrometry measurements incorporating liquid chromatography (LC) and ion mobility spectrometry (IM) separations, and collecting extensive fragmentation spectra with data-independent acquisition (DIA) methods: LC-IM-DIA-MS. The algorithm learns to distinguish true co-elution and co-mobility from raw data and calculates metabolite identification error rates.
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Bilbao Pena, Aivett. 2022-09-07. EMSL-Computing/PeakDecoder. https://doi.org/10.11578/dc.20240614.237
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