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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Detalles Bibliográficos
Autores principales: Scheubert, Kerstin, Hufsky, Franziska, Petras, Daniel, Wang, Mingxun, Nothias, Louis-Félix, Dührkop, Kai, Bandeira, Nuno, Dorrestein, Pieter C., Böcker, Sebastian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5684233/
https://www.ncbi.nlm.nih.gov/pubmed/29133785
http://dx.doi.org/10.1038/s41467-017-01318-5

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5684233/
https://www.ncbi.nlm.nih.gov/pubmed/29133785
http://dx.doi.org/10.1038/s41467-017-01318-5

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