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Shunyang Wang
ORCID
Publication Activity (10 Years)
Years Active: 2020-2022
Publications (10 Years): 3
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Ovarian Cancer
Mass Spectra
High Throughput
Top Venues
J. Chem. Inf. Model.
J. Cheminformatics
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Publications
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Shunyang Wang
,
Tobias Kind
,
Parker Ladd Bremer
,
Dean J. Tantillo
,
Oliver Fiehn
Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics.
J. Chem. Inf. Model.
62 (18) (2022)
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) (2022)
Shunyang Wang
,
Tobias Kind
,
Dean J. Tantillo
,
Oliver Fiehn
Predicting in silico electron ionization mass spectra using quantum chemistry.
J. Cheminformatics
12 (1) (2020)