Significance estimation for large scale metabolomics annotations by spectral matching

Matching fragment spectra to reference library spectra is an important procedure for annotating small molecules in untargeted mass spectrometry based metabolomics studies. Here, the authors develop strategies to estimate false discovery rates (FDR) by empirical Bayes and target-decoy based methods w...

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Bibliographic Details
Main Authors: Kerstin Scheubert, Franziska Hufsky, Daniel Petras, Mingxun Wang, Louis-Félix Nothias, Kai Dührkop, Nuno Bandeira, Pieter C. Dorrestein, Sebastian Böcker
Format: article
Language:EN
Published: Nature Portfolio 2017
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Online Access:https://doaj.org/article/ed3d7368472a4d7394ba9f261ba594c4
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