Advanced chemometric and data handling tools for GC×GC-TOF-MS
Pierre‐Hugues Stefanuto, Agnieszka Smolinska, Jean‐François Focant
Topics & Concepts
ChemometricsWorkflowGas chromatography–mass spectrometryPreprocessorFeature selectionComputer scienceData pre-processingMass spectrometryArtificial intelligenceMachine learningChromatographyData miningChemistryDatabaseMetabolomics and Mass Spectrometry StudiesAnalytical Chemistry and ChromatographyAdvanced Chemical Sensor Technologies