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Chemistry Development Kit

Chemistry Development Kit
Original author(s)Christoph Steinbeck, Egon Willighagen, Dan Gezelter
Developer(s)The CDK Project
Initial release11 May 2001 (2001-05-11)[1]
Stable release2.8[2] (September 14, 2022 (2022-09-14)) [±]
Preview release2.2[3] (October 30, 2018 (2018-10-30)) [±]
Repositorygithub.com/cdk/cdk
Written inJava
Operating systemWindows, Linux, Unix, macOS
PlatformIA-32, x86-64
Available inEnglish
TypeChemoinformatics, molecular modelling, bioinformatics
LicenseLGPL 2.0
Websitecdk.github.io

The Chemistry Development Kit (CDK) is computer software, a library in the programming language Java, for chemoinformatics and bioinformatics.[4][5] It is available for Windows, Linux, Unix, and macOS. It is free and open-source software distributed under the GNU Lesser General Public License (LGPL) 2.0.

  1. ^ "The Chemistry Development Kit - Browse /OldFiles at SourceForge.net".
  2. ^ "cdk/cdk: CDK 2.8". ZENODO. 2022-09-14. doi:10.5281/zenodo.7079512.
  3. ^ Mayfield, John; Willighagen, Egon; Ujihara, Kazuya; Rahman, Syed Asad; Alvarsson, Jonathan; Gražulis, Saulius; Szisz, Daniel; Williamson, Mark J.; Kochev, Nikolay; Jeliazkova, Nina; Bach, Eric; Berg, Arvid; Clark, Alex; Stephan, Ralf; Wenk, Michael; Stueker, Oliver; Jönsson, Klas; Burgoon, Lyle; Katsubo, Dmitry; Köhler, Uli; Harmon, Cyrus (30 October 2018). "Cdk/Cdk: Cdk 2.2". Zenodo. doi:10.5281/zenodo.1474247.
  4. ^ Steinbeck, C.; Han, Y. Q.; Kuhn, S.; Horlacher, O.; Luttmann, E.; Willighagen, E. L. (2003). "The Chemistry Development Kit (CDK): An open-source Java library for chemo- and bioinformatics". Journal of Chemical Information and Computer Sciences. 43 (2): 493–500. doi:10.1021/ci025584y. PMC 4901983. PMID 12653513.
  5. ^ Willighagen, Egon L.; Mayfield, John W.; Alvarsson, Jonathan; Berg, Arvid; Carlsson, Lars; Jeliazkova, Nina; Kuhn, Stefan; Pluskal, Tomáš; Rojas-Chertó, Miquel (2017-06-06). "The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching". Journal of Cheminformatics. 9 (1): 33. doi:10.1186/s13321-017-0220-4. ISSN 1758-2946. PMC 5461230. PMID 29086040.

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