How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra

被引：0
|
作者：
Bremer, Parker Ladd [1 ]
Vaniya, Arpana [2 ]
Kind, Tobias [2 ]
Wang, Shunyang [1 ]
Fiehn, Oliver [2 ]
机构：
[1] Department of Chemistry, University of California Davis, Davis,CA,95616, United States
[2] West Coast Metabolomics Center for Compound Identification, UC Davis Genome Center, University of California Davis, Davis,CA,95616, United States
来源：
Journal of Chemical Information and Modeling | 2022年 / 62卷 / 17期
关键词：
28;
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页码：4049 / 4056
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