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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: carlsson l. 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.
Accurate Hit Estimation for Iterative Screening Using Venn-ABERS Predictors.
Buendia R, Kogej T, Engkvist O, Carlsson L, Linusson H, Johansson U, Toccaceli P, Ahlberg E. Buendia R, et al. Among authors: carlsson l. J Chem Inf Model. 2019 Mar 25;59(3):1230-1237. doi: 10.1021/acs.jcim.8b00724. Epub 2019 Feb 22. J Chem Inf Model. 2019. PMID: 30726080
749 results