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Erratum to: The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching.
Willighagen EL, Mayfield JW, Alvarsson J, Berg A, Carlsson L, Jeliazkova N, Kuhn S, Pluskal T, Rojas-Chertó M, Spjuth O, Torrance G, Evelo CT, Guha R, Steinbeck C. Willighagen EL, et al. Among authors: steinbeck c. J Cheminform. 2017 Sep 20;9(1):53. doi: 10.1186/s13321-017-0231-1. J Cheminform. 2017. PMID: 29086079 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.
Bioclipse: an open source workbench for chemo- and bioinformatics.
Spjuth O, Helmus T, Willighagen EL, Kuhn S, Eklund M, Wagener J, Murray-Rust P, Steinbeck C, Wikberg JE. Spjuth O, et al. Among authors: steinbeck c. BMC Bioinformatics. 2007 Feb 22;8:59. doi: 10.1186/1471-2105-8-59. BMC Bioinformatics. 2007. PMID: 17316423 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.
Bioclipse 2: a scriptable integration platform for the life sciences.
Spjuth O, Alvarsson J, Berg A, Eklund M, Kuhn S, Mäsak C, Torrance G, Wagener J, Willighagen EL, Steinbeck C, Wikberg JE. Spjuth O, et al. Among authors: steinbeck c. BMC Bioinformatics. 2009 Dec 3;10:397. doi: 10.1186/1471-2105-10-397. BMC Bioinformatics. 2009. PMID: 19958528 Free PMC article.
148 results