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Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data

Alexander A. Aksenov, Ivan Laponogov, Zheng Zhang, Sophie Doran, Ilaria Belluomo, Dennis A. Veselkov, Wout Bittremieux, Louis‐Félix Nothias, Mélissa Nothias-Esposito, Katherine N. Maloney, Biswapriya B. Misra, Alexey V. Melnik, Aleksandr Smirnov, Xiuxia Du, Kenneth Lyons Jones, Kathleen Dorrestein, Morgan Panitchpakdi, Madeleine Ernst, Justin J. J. van der Hooft, Mabel González, Chiara Carazzone, Adolfo Amézquita, Chris Callewaert, James T. Morton, Robert A. Quinn, Amina Bouslimani, Andrea G. Albarracín Orio, Daniel Petras, Andrea M. Smania, Sneha Couvillion, Meagan Burnet, Carrie Nicora, Erika Zink, Thomas Metz, Viatcheslav B. Artaev, Elizabeth M. Humston-Fulmer, Rachel Gregor, Michaël M. Meijler, Itzhak Mizrahi, Stav Eyal, Brooke Anderson, Rachel J. Dutton, Raphaël Lugan, Pauline Le Boulch, Yann Guitton, Stéphanie Prévost, Audrey Poirier, Gaud Dervilly, Bruno Le Bizec, Aaron Fait, Noga Sikron Persi, Chao Song, Kelem Gashu, Roxana Coras, Mónica Gumá, Julia Manasson, José U. Scher, Dinesh Kumar Barupal, Saleh Alseekh, Alisdair R. Fernie, Reza Mirnezami, Vasilis Vasiliou, Robin Schmid, Р. С. Борисов, Л. Н. Куликова, Rob Knight, Mingxun Wang, George B. Hanna, Pieter C. Dorrestein, Kirill Veselkov, Kirill Veselkov

2020Nature Biotechnology162 citationsDOIOpen Access PDF

Topics & Concepts

DeconvolutionWorkflowMass spectrometryFragmentation (computing)Computer scienceMass spectrometry imagingGas chromatography–mass spectrometryChromatographyMatrix decompositionChemistryAnalytical Chemistry (journal)Data miningAlgorithmPhysicsDatabaseEigenvalues and eigenvectorsQuantum mechanicsOperating systemMetabolomics and Mass Spectrometry StudiesAdvanced Chemical Sensor TechnologiesAnalytical Chemistry and Chromatography
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