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SPLASH, a hashed identifier for mass spectra.
Wohlgemuth G, Mehta SS, Mejia RF, Neumann S, Pedrosa D, Pluskal T, Schymanski EL, Willighagen EL, Wilson M, Wishart DS, Arita M, Dorrestein PC, Bandeira N, Wang M, Schulze T, Salek RM, Steinbeck C, Nainala VC, Mistrik R, Nishioka T, Fiehn O. Wohlgemuth G, et al. Among authors: steinbeck c. Nat Biotechnol. 2016 Nov 8;34(11):1099-1101. doi: 10.1038/nbt.3689. Nat Biotechnol. 2016. PMID: 27824832 Free PMC article. No abstract available.
The Blue Obelisk-interoperability in chemical informatics.
Guha R, Howard MT, Hutchison GR, Murray-Rust P, Rzepa H, Steinbeck C, Wegner J, Willighagen EL. Guha R, et al. Among authors: steinbeck c. J Chem Inf Model. 2006 May-Jun;46(3):991-8. doi: 10.1021/ci050400b. J Chem Inf Model. 2006. PMID: 16711717 Free PMC article.
Userscripts for the life sciences.
Willighagen EL, O'Boyle NM, Gopalakrishnan H, Jiao D, Guha R, Steinbeck C, Wild DJ. Willighagen EL, et al. Among authors: steinbeck c. BMC Bioinformatics. 2007 Dec 21;8:487. doi: 10.1186/1471-2105-8-487. BMC Bioinformatics. 2007. PMID: 18154664 Free PMC article.
CDK-Taverna: an open workflow environment for cheminformatics.
Kuhn T, Willighagen EL, Zielesny A, Steinbeck C. Kuhn T, et al. Among authors: steinbeck c. BMC Bioinformatics. 2010 Mar 29;11:159. doi: 10.1186/1471-2105-11-159. BMC Bioinformatics. 2010. PMID: 20346188 Free PMC article.
Minimum information about a bioactive entity (MIABE).
Orchard S, Al-Lazikani B, Bryant S, Clark D, Calder E, Dix I, Engkvist O, Forster M, Gaulton A, Gilson M, Glen R, Grigorov M, Hammond-Kosack K, Harland L, Hopkins A, Larminie C, Lynch N, Mann RK, Murray-Rust P, Lo Piparo E, Southan C, Steinbeck C, Wishart D, Hermjakob H, Overington J, Thornton J. Orchard S, et al. Among authors: steinbeck c. Nat Rev Drug Discov. 2011 Aug 31;10(9):661-9. doi: 10.1038/nrd3503. Nat Rev Drug Discov. 2011. PMID: 21878981 Review.
145 results