De Novo Molecular Formula Annotation and Structure Elucidation Using SIRIUS 4
Marcus Ludwig, Markus Fleischauer, Kai Dührkop, Martin Hoffmann, Sebastian Böcker
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