SIMILE enables alignment of tandem mass spectra with statistical significance
SIMILE enables alignment of tandem mass spectra with statistical significance
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Publisher
London: Nature Publishing Group UK
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Language
English
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Publisher
London: Nature Publishing Group UK
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Contents
Interrelating small molecules according to their aligned fragmentation spectra is central to tandem mass spectrometry-based untargeted metabolomics. Current alignment algorithms do not provide statistical significance and compounds that have multiple delocalized structural differences and therefore often fail to have their fragment ions aligned. He...
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Full title
SIMILE enables alignment of tandem mass spectra with statistical significance
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TN_cdi_doaj_primary_oai_doaj_org_article_28bb7180c9054fd7b3d15e5a10010607
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_doaj_primary_oai_doaj_org_article_28bb7180c9054fd7b3d15e5a10010607
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ISSN
2041-1723
E-ISSN
2041-1723
DOI
10.1038/s41467-022-30118-9
