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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.
149 results