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

We engineered a machine learning approach, MSHub, to enable auto-deconvolution of gas chromatography-mass spectrometry (GC-MS) data. We then designed workflows to enable the community to store, process, share, annotate, compare, and perform molecular networking of GC-MS data within the Global Natura...

תיאור מלא

שמור ב:
מידע ביבליוגרפי
הוצא לאור ב:Nat Biotechnol
Main Authors: Aksenov, Alexander A., Laponogov, Ivan, Zhang, Zheng, Doran, Sophie LF, Belluomo, Ilaria, Veselkov, Dennis, Bittremieux, Wout, Nothias, Louis Felix, Nothias-Esposito, Mélissa, Maloney, Katherine N., Misra, Biswapriya B., Melnik, Alexey V., Smirnov, Aleksandr, Du, Xiuxia, Jones, Kenneth L., Dorrestein, Kathleen, Panitchpakdi, Morgan, Ernst, Madeleine, van der Hooft, Justin J.J., Gonzalez, Mabel, Carazzone, Chiara, Amézquita, Adolfo, Callewaert, Chris, Morton, James, Quinn, Robert, Bouslimani, Amina, Orio, Andrea Albarracín, Petras, Daniel, Smania, Andrea M., Couvillion, Sneha P., Burnet, Meagan C., Nicora, Carrie D., Zink, Erika, Metz, Thomas O., Artaev, Viatcheslav, Humston-Fulmer, Elizabeth, Gregor, Rachel, Meijler, Michael M., Mizrahi, Itzhak, Eyal, Stav, Anderson, Brooke, Dutton, Rachel, Lugan, Raphaël, Le Boulch, Pauline, Guitton, Yann, Prevost, Stephanie, Poirier, Audrey, Dervilly, Gaud, Le Bizec, Bruno, Fait, Aaron, Persi, Noga Sikron, Song, Chao, Gashu, Kelem, Coras, Roxana, Guma, Monica, Manasson, Julia, Scher, Jose U., Barupal, Dinesh Kumar, Alseekh, Saleh, Fernie, Alisdair, Mirnezami, Reza, Vasiliou, Vasilis, Schmid, Robin, Borisov, Roman S., Kulikova, Larisa N., Knight, Rob, Wang, Mingxun, Hanna, George B, Dorrestein, Pieter C., Veselkov, Kirill
פורמט: Artigo
שפה:Inglês
יצא לאור: 2020
נושאים:
גישה מקוונת:https://ncbi.nlm.nih.gov/pmc/articles/PMC7971188/
https://ncbi.nlm.nih.gov/pubmed/33169034
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/s41587-020-0700-3
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