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G-Aligner: a graph-based feature alignment method for untargeted LC-MS-based metabolomics.

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第一作者： Ruimin,Wang

第一单位： Fudan University, Shanghai, 200433, Shanghai, China.;School of Engineering, Westlake University, Hangzhou, 310030, Zhejiang, China.;Shandong First Medical University and Shandong Academy of Medical Sciences, Jinan, 250021, Shandong, China.

作者： Ruimin,Wang ^[1] ; Miaoshan,Lu ^[2] ; Shaowei,An ^[3] ; Jinyin,Wang ^[4] ; Changbin,Yu ^[5]

作者单位： Fudan University, Shanghai, 200433, Shanghai, China.;School of Engineering, Westlake University, Hangzhou, 310030, Zhejiang, China.;Shandong First Medical University and Shandong Academy of Medical Sciences, Jinan, 250021, Shandong, China. ^[1] School of Engineering, Westlake University, Hangzhou, 310030, Zhejiang, China.;Shandong First Medical University and Shandong Academy of Medical Sciences, Jinan, 250021, Shandong, China.;Zhejiang University, Hangzhou, 310058, Zhejiang, China. ^[2] Fudan University, Shanghai, 200433, Shanghai, China.;Shandong First Medical University and Shandong Academy of Medical Sciences, Jinan, 250021, Shandong, China.;School of Life Sciences, Westlake University, Hangzhou, 310030, Zhejiang, China. ^[3] Shandong First Medical University and Shandong Academy of Medical Sciences, Jinan, 250021, Shandong, China.;Zhejiang University, Hangzhou, 310058, Zhejiang, China.;School of Life Sciences, Westlake University, Hangzhou, 310030, Zhejiang, China. ^[4] Shandong First Medical University and Shandong Academy of Medical Sciences, Jinan, 250021, Shandong, China. yu_lab@sdfmu.edu.cn. ^[5]

关键词 Combinatorial optimization Feature alignment LC–MS Multidimensional assignment problem

医学主题词色谱法, 液相(Chromatography, Liquid);串联质谱法(Tandem Mass Spectrometry);软件(Software);算法(Algorithms);代谢组学(Metabolomics)

DOI 10.1186/s12859-023-05525-4

PMID 37964228

发布时间 2023-11-19

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