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Metabolite discovery through global annotation of untargeted metabolomics data

Liquid chromatography-high resolution mass spectrometry (LC-MS)-based metabolomics aims to identify and quantitate all metabolites, but most LC-MS peaks remain unidentified. Here, we present a global network optimization approach, NetID, to annotate untargeted LC-MS metabolomics data. The approach a...

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Detalles Bibliográficos
Autores principales:	Chen, Li, Lu, Wenyun, Wang, Lin, Xing, Xi, Chen, Ziyang, Teng, Xin, Zeng, Xianfeng, Muscarella, Antonio D., Shen, Yihui, Cowan, Alexis, McReynolds, Melanie R., Kennedy, Brandon J., Lato, Ashley M., Campagna, Shawn R., Singh, Mona, Rabinowitz, Joshua D.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	2021
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8733904/ https://www.ncbi.nlm.nih.gov/pubmed/34711973 http://dx.doi.org/10.1038/s41592-021-01303-3

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