High-confidence structural annotation of metabolites absent from spectral libraries
High-confidence structural annotation of metabolites absent from spectral libraries
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Publisher
New York: Nature Publishing Group US
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Language
English
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Publisher
New York: Nature Publishing Group US
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Scope and Contents
Contents
Untargeted metabolomics experiments rely on spectral libraries for structure annotation, but, typically, only a small fraction of spectra can be matched. Previous in silico methods search in structure databases but cannot distinguish between correct and incorrect annotations. Here we introduce the COSMIC workflow that combines in silico structure d...
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Full title
High-confidence structural annotation of metabolites absent from spectral libraries
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Record Identifier
TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_8926923
Permalink
https://devfeature-collection.sl.nsw.gov.au/record/TN_cdi_pubmedcentral_primary_oai_pubmedcentral_nih_gov_8926923
Other Identifiers
ISSN
1087-0156
E-ISSN
1546-1696
DOI
10.1038/s41587-021-01045-9
