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Feature-based molecular networking in the GNPS analysis environment.
Nothias LF, Petras D, Schmid R, Dührkop K, Rainer J, Sarvepalli A, Protsyuk I, Ernst M, Tsugawa H, Fleischauer M, Aicheler F, Aksenov AA, Alka O, Allard PM, Barsch A, Cachet X, Caraballo-Rodriguez AM, Da Silva RR, Dang T, Garg N, Gauglitz JM, Gurevich A, Isaac G, Jarmusch AK, Kameník Z, Kang KB, Kessler N, Koester I, Korf A, Le Gouellec A, Ludwig M, Martin H C, McCall LI, McSayles J, Meyer SW, Mohimani H, Morsy M, Moyne O, Neumann S, Neuweger H, Nguyen NH, Nothias-Esposito M, Paolini J, Phelan VV, Pluskal T, Quinn RA, Rogers S, Shrestha B, Tripathi A, van der Hooft JJJ, Vargas F, Weldon KC, Witting M, Yang H, Zhang Z, Zubeil F, Kohlbacher O, Böcker S, Alexandrov T, Bandeira N, Wang M, Dorrestein PC. Nothias LF, et al. Among authors: witting m. Nat Methods. 2020 Sep;17(9):905-908. doi: 10.1038/s41592-020-0933-6. Epub 2020 Aug 24. Nat Methods. 2020. PMID: 32839597 Free PMC article.
High-confidence structural annotation of metabolites absent from spectral libraries.
Hoffmann MA, Nothias LF, Ludwig M, Fleischauer M, Gentry EC, Witting M, Dorrestein PC, Dührkop K, Böcker S. Hoffmann MA, et al. Among authors: witting m. Nat Biotechnol. 2022 Mar;40(3):411-421. doi: 10.1038/s41587-021-01045-9. Epub 2021 Oct 14. Nat Biotechnol. 2022. PMID: 34650271 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: witting m. Metabolites. 2022 Feb 11;12(2):173. doi: 10.3390/metabo12020173. Metabolites. 2022. PMID: 35208247 Free PMC article.
Networks and Graphs Discovery in Metabolomics Data Analysis and Interpretation.
Amara A, Frainay C, Jourdan F, Naake T, Neumann S, Novoa-Del-Toro EM, Salek RM, Salzer L, Scharfenberg S, Witting M. Amara A, et al. Among authors: witting m. Front Mol Biosci. 2022 Mar 8;9:841373. doi: 10.3389/fmolb.2022.841373. eCollection 2022. Front Mol Biosci. 2022. PMID: 35350714 Free PMC article. Review.
163 results