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<title lang=en>FDR-controlled metabolite annotation for high-resolution imaging mass spectrometry</title>
<creator>Palmer, A.</creator>
<creator>Phapale, P.</creator>
<creator>Chernyavsky, I.</creator>
<creator>Lavigne, R.</creator>
<creator>Fay, D.</creator>
<creator>Tarasov, A.</creator>
<creator>Kovalev, V.</creator>
<creator>Fuchser, J.</creator>
<creator>Nikolenko, S.</creator>
<creator>Pineau, C.</creator>
<creator>Becker, M.</creator>
<creator>Alexandrov, T.</creator>
<contributor>European Molecular Biology Laboratory [Heidelberg] (EMBL)</contributor>
<contributor>Center of Industrial Mathematics - University of Bremen ; University of Bremen</contributor>
<contributor>Institut de recherche, santé, environnement et travail [Rennes] (Irset) ; Université d'Angers (UA) - Université des Antilles et de la Guyane (UAG) - Université de Rennes 1 (UR1) - École des Hautes Études en Santé Publique [EHESP] (EHESP) - Institut National de la Santé et de la Recherche Médicale (INSERM) - Structure Fédérative de Recherche en Biologie et Santé de Rennes ( Biosit : Biologie - Santé - Innovation Technologique )</contributor>
<contributor>Bruker Daltonik GmbH ; Bruker Daltonik</contributor>
<description>International audience</description>
<source>Nature Methods</source>
<identifier>hal-01467553</identifier>
<identifier>https://hal-univ-rennes1.archives-ouvertes.fr/hal-01467553</identifier>
<source>https://hal-univ-rennes1.archives-ouvertes.fr/hal-01467553</source>
<source>Nature Methods, 2016, 14, pp.57--60. 〈10.1038/nmeth.4072〉</source>
<identifier>DOI : 10.1038/nmeth.4072</identifier>
<relation>info:eu-repo/semantics/altIdentifier/doi/10.1038/nmeth.4072</relation>
<identifier>PUBMED : 27842059</identifier>
<relation>info:eu-repo/semantics/altIdentifier/pmid/27842059</relation>
<language>en</language>
<subject>[SDV.EE] Life Sciences [q-bio]/Ecology, environment</subject>
<type>info:eu-repo/semantics/article</type>
<type>Journal articles</type>
<description lang=en>High-mass-resolution imaging mass spectrometry promises to localize hundreds of metabolites in tissues, cell cultures, and agar plates with cellular resolution, but it is hampered by the lack of bioinformatics tools for automated metabolite identification. We report pySM, a framework for false discovery rate (FDR)-controlled metabolite annotation at the level of the molecular sum formula, for high-mass-resolution imaging mass spectrometry (https://github.com/alexandrovteam/pySM). We introduce a metabolite-signal match score and a target-decoy FDR estimate for spatial metabolomics. © 2017 Nature America, Inc., part of Springer Nature. All rights reserved.</description>
<date>2016</date>
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