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De Novo Molecular Formula Annotation and Structure Elucidation Using SIRIUS 4

Marcus Ludwig, Markus Fleischauer, Kai Dührkop, Martin Hoffmann, Sebastian Böcker

2020Methods in molecular biology48 citationsDOI

Topics & Concepts

Leverage (statistics)AnnotationSiriusWorkflowFragmentation (computing)Database search engineMass spectrometryTandem mass spectrometryComputer scienceComputational biologyChemistryDatabaseInformation retrievalArtificial intelligenceBiologyChromatographySearch engineComputer visionStarsOperating systemMetabolomics and Mass Spectrometry StudiesAnalytical Chemistry and ChromatographyAdvanced Chemical Sensor Technologies
De Novo Molecular Formula Annotation and Structure Elucidation Using SIRIUS 4 | Litcius