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Fast alignment of fragmentation trees.
Hufsky F, Dührkop K, Rasche F, Chimani M, Böcker S. Hufsky F, et al. Among authors: duhrkop k. Bioinformatics. 2012 Jun 15;28(12):i265-73. doi: 10.1093/bioinformatics/bts207. Bioinformatics. 2012. PMID: 22689771 Free PMC article.
Molecular Formula Identification with SIRIUS.
Dührkop K, Scheubert K, Böcker S. Dührkop K, et al. Metabolites. 2013 Jun 13;3(2):506-16. doi: 10.3390/metabo3020506. Metabolites. 2013. PMID: 24958003 Free PMC article.
Fragmentation trees reloaded.
Böcker S, Dührkop K. Böcker S, et al. Among authors: duhrkop k. J Cheminform. 2016 Feb 1;8:5. doi: 10.1186/s13321-016-0116-8. eCollection 2016. J Cheminform. 2016. PMID: 26839597 Free PMC article.
Fast metabolite identification with Input Output Kernel Regression.
Brouard C, Shen H, Dührkop K, d'Alché-Buc F, Böcker S, Rousu J. Brouard C, et al. Among authors: duhrkop k. Bioinformatics. 2016 Jun 15;32(12):i28-i36. doi: 10.1093/bioinformatics/btw246. Bioinformatics. 2016. PMID: 27307628 Free PMC article.
Critical Assessment of Small Molecule Identification 2016: automated methods.
Schymanski EL, Ruttkies C, Krauss M, Brouard C, Kind T, Dührkop K, Allen F, Vaniya A, Verdegem D, Böcker S, Rousu J, Shen H, Tsugawa H, Sajed T, Fiehn O, Ghesquière B, Neumann S. Schymanski EL, et al. Among authors: duhrkop k. J Cheminform. 2017 Mar 27;9(1):22. doi: 10.1186/s13321-017-0207-1. J Cheminform. 2017. PMID: 29086042 Free PMC article.
28 results