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Significance estimation for large scale metabolomics annotations by spectral matching

The annotation of small molecules in untargeted mass spectrometry relies on the matching of fragment spectra to reference library spectra. While various spectrum-spectrum match scores exist, the field lacks statistical methods for estimating the false discovery rates (FDR) of these annotations. We p...

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Detalhes bibliográficos
Publicado no:Nat Commun
Main Authors: Scheubert, Kerstin, Hufsky, Franziska, Petras, Daniel, Wang, Mingxun, Nothias, Louis-Félix, Dührkop, Kai, Bandeira, Nuno, Dorrestein, Pieter C., Böcker, Sebastian
Formato: Artigo
Idioma:Inglês
Publicado em: Nature Publishing Group UK 2017
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Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC5684233/
https://ncbi.nlm.nih.gov/pubmed/29133785
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41467-017-01318-5
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