PeakDecoder enables machine learning-based metabolite annotation and accurate profiling in multidimensional mass spectrometry measurements

Abstract Multidimensional measurements using state-of-the-art separations and mass spectrometry provide advantages in untargeted metabolomics analyses for studying biological and environmental bio-chemical processes. However, the lack of rapid analytical methods and robust algorithms for these heter...

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Principais autores:	Aivett Bilbao, Nathalie Munoz, Joonhoon Kim, Daniel J. Orton, Yuqian Gao, Kunal Poorey, Kyle R. Pomraning, Karl Weitz, Meagan Burnet, Carrie D. Nicora, Rosemarie Wilton, Shuang Deng, Ziyu Dai, Ethan Oksen, Aaron Gee, Rick A. Fasani, Anya Tsalenko, Deepti Tanjore, James Gardner, Richard D. Smith, Joshua K. Michener, John M. Gladden, Erin S. Baker, Christopher J. Petzold, Young-Mo Kim, Alex Apffel, Jon K. Magnuson, Kristin E. Burnum-Johnson
Formato:	Artigo
Idioma:	Inglês
Publicado:	Nature Portfolio 2023-04-01
Series:	Nature Communications
Acceso en liña:	https://doi.org/10.1038/s41467-023-37031-9
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