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"How Well Can We Predict Mass Spectra from Structures? Benchmarking ..."

Parker Ladd Bremer et al. (2022)

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DOI: 10.1021/ACS.JCIM.2C00936

access: closed

type: Journal Article

metadata version: 2023-09-30

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  - journals/jcisd/BremerVKWF22
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  - https://dblp.org/rec/journals/jcisd/BremerVKWF22
Parker Ladd Bremer, Arpana Vaniya, Tobias Kind, Shunyang Wang, Oliver Fiehn:
How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra. J. Chem. Inf. Model. 62(17): 4049-4056 (2022)

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