Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data
Тип публикации: Journal Article
Дата публикации: 2020-11-09
SCImago Q1
Tоп 10% SCImago
WOS Q1
БС1
SJR: 23.109
CiteScore: 58.8
Impact factor: 41.7
ISSN: 10870156, 15461696
PubMed ID:
33169034
Molecular Medicine
Applied Microbiology and Biotechnology
Biotechnology
Bioengineering
Biomedical Engineering
Краткое описание
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 Natural Product Social (GNPS) Molecular Networking analysis platform. MSHub/GNPS performs auto-deconvolution of compound fragmentation patterns via unsupervised non-negative matrix factorization and quantifies the reproducibility of fragmentation patterns across samples. A machine learning workflow enables auto-deconvolution of gas chromatography–mass spectrometry data.
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146
Всего цитирований:
146
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ГОСТ
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Aksenov A. A. et al. Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data // Nature Biotechnology. 2020. Vol. 39. No. 2. pp. 169-173.
ГОСТ со всеми авторами (до 50)
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Aksenov A. A. et al. Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data // Nature Biotechnology. 2020. Vol. 39. No. 2. pp. 169-173.
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RIS
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TY - JOUR
DO - 10.1038/s41587-020-0700-3
UR - https://doi.org/10.1038/s41587-020-0700-3
TI - Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data
T2 - Nature Biotechnology
AU - Aksenov, Alexander A
AU - Laponogov, Ivan
AU - Zhang, Zheng
AU - Doran, Sophie L. F.
AU - Belluomo, Ilaria
AU - Veselkov, Dennis
AU - Bittremieux, Wout
AU - Nothias, Louis-Félix
AU - Nothias Esposito, Mélissa
AU - Maloney, Katherine N
AU - Misra, Biswapriya B
AU - Melnik, Alexey V
AU - Smirnov, Aleksandr
AU - Du, Xiuxia
AU - JONES, KENNETH L.
AU - Dorrestein, Kathleen
AU - Panitchpakdi, Morgan
AU - Ernst, Madeleine
AU - van der Hooft, Justin J. J.
AU - Gonzalez, Mabel
AU - Carazzone, Chiara
AU - Amézquita, Adolfo
AU - Callewaert, Chris
AU - Morton, James T
AU - Quinn, Robert A.
AU - Bouslimani, Amina
AU - Orio, Andrea Albarracín
AU - Petras, Daniel
AU - SMANIA, Andrea M.
AU - Couvillion, Sneha P.
AU - Burnet, Meagan C
AU - Nicora, C. D.
AU - Zink, E. C.
AU - Metz, Thomas O.
AU - Artaev, Viatcheslav
AU - Humston Fulmer, Elizabeth
AU - Gregor, Rachel
AU - Meijler, Michael M.
AU - Mizrahi, Itzhak
AU - Eyal, Stav
AU - Anderson, Brooke
AU - Dutton, Rachel
AU - Lugan, Raphael
AU - Boulch, Pauline Le
AU - Guitton, Yann
AU - Prevost, Stephanie
AU - Poirier, Audrey
AU - Dervilly-Pinel, G.
AU - Le Bizec, Bruno
AU - Fait, Aaron
AU - Persi, Noga Sikron
AU - Song, Chao
AU - Gashu, Kelem
AU - Coras, Roxana
AU - Guma, Monica
AU - Manasson, Julia
AU - Scher, Jose U.
AU - Barupal, Dinesh Kumar
AU - Alseekh, Saleh
AU - Lam, Eric
AU - Mirnezami, Reza
AU - Vasiliou, Vasilis
AU - Schmid, Robin
AU - Borisov, Roman S
AU - Kulikova, Larisa N
AU - Knight, Rob
AU - Wang, Mingxun
AU - Hanna, George B.
AU - Dorrestein, Pieter C
AU - Veselkov, Kirill
PY - 2020
DA - 2020/11/09
PB - Springer Nature
SP - 169-173
IS - 2
VL - 39
PMID - 33169034
SN - 1087-0156
SN - 1546-1696
ER -
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@article{2020_Aksenov,
author = {Alexander A Aksenov and Ivan Laponogov and Zheng Zhang and Sophie L. F. Doran and Ilaria Belluomo and Dennis Veselkov and Wout Bittremieux and Louis-Félix Nothias and Mélissa Nothias Esposito and Katherine N Maloney and Biswapriya B Misra and Alexey V Melnik and Aleksandr Smirnov and Xiuxia Du and KENNETH L. JONES and Kathleen Dorrestein and Morgan Panitchpakdi and Madeleine Ernst and Justin J. J. van der Hooft and Mabel Gonzalez and Chiara Carazzone and Adolfo Amézquita and Chris Callewaert and James T Morton and Robert A. Quinn and Amina Bouslimani and Andrea Albarracín Orio and Daniel Petras and Andrea M. SMANIA and Sneha P. Couvillion and Meagan C Burnet and C. D. Nicora and E. C. Zink and Thomas O. Metz and Viatcheslav Artaev and Elizabeth Humston Fulmer and Rachel Gregor and Michael M. Meijler and Itzhak Mizrahi and Stav Eyal and Brooke Anderson and Rachel Dutton and Raphael Lugan and Pauline Le Boulch and Yann Guitton and Stephanie Prevost and Audrey Poirier and G. Dervilly-Pinel and Bruno Le Bizec and Aaron Fait and others},
title = {Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data},
journal = {Nature Biotechnology},
year = {2020},
volume = {39},
publisher = {Springer Nature},
month = {nov},
url = {https://doi.org/10.1038/s41587-020-0700-3},
number = {2},
pages = {169--173},
doi = {10.1038/s41587-020-0700-3}
}
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MLA
Скопировать
Aksenov, Alexander A., et al. “Auto-deconvolution and molecular networking of gas chromatography–mass spectrometry data.” Nature Biotechnology, vol. 39, no. 2, Nov. 2020, pp. 169-173. https://doi.org/10.1038/s41587-020-0700-3.
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