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The metaRbolomics Toolbox in Bioconductor and beyond.
Stanstrup J, Broeckling CD, Helmus R, Hoffmann N, Mathé E, Naake T, Nicolotti L, Peters K, Rainer J, Salek RM, Schulze T, Schymanski EL, Stravs MA, Thévenot EA, Treutler H, Weber RJM, Willighagen E, Witting M, Neumann S. Stanstrup J, et al. Among authors: stravs ma. Metabolites. 2019 Sep 23;9(10):200. doi: 10.3390/metabo9100200. Metabolites. 2019. PMID: 31548506 Free PMC article. Review.
MSNovelist: de novo structure generation from mass spectra.
Stravs MA, Dührkop K, Böcker S, Zamboni N. Stravs MA, et al. Nat Methods. 2022 Jul;19(7):865-870. doi: 10.1038/s41592-022-01486-3. Epub 2022 May 30. Nat Methods. 2022. PMID: 35637304 Free PMC article.
A Modular and Expandable Ecosystem for Metabolomics Data Annotation in R.
Rainer J, Vicini A, Salzer L, Stanstrup J, Badia JM, Neumann S, Stravs MA, Verri Hernandes V, Gatto L, Gibb S, Witting M. Rainer J, et al. Among authors: stravs ma. Metabolites. 2022 Feb 11;12(2):173. doi: 10.3390/metabo12020173. Metabolites. 2022. PMID: 35208247 Free PMC article.
14 results