EMSL-Computing/PeakDecoder
- Pacific Northwest National Laboratory
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.
- Short Name / Acronym:
- PeakDecoder
- Site Accession Number:
- Battelle IPID 32522-E
- Software Type:
- Scientific
- License(s):
- BSD 2-clause "Simplified" License
- Research Organization:
- Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
- Sponsoring Organization:
- USDOEPrimary Award/Contract Number:AC05-76RL01830
- DOE Contract Number:
- AC05-76RL01830
- Code ID:
- 80693
- OSTI ID:
- code-80693
- Country of Origin:
- United States
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OSTI ID:3001898