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Chemistry Development Kit
 | |
| Original author(s) | Christoph Steinbeck, Egon Willighagen, Dan Gezelter |
|---|---|
| Developer(s) | The CDK Project |
| Initial release | 11 May 2001[1] |
| Stable release | 2.10[2] (January 10, 2025) [±] |
| Preview release | 2.2[3] (October 30, 2018) [±] |
| Repository | github |
| Written in | Java |
| Operating system | Windows, Linux, Unix, macOS |
| Platform | IA-32, x86-64 |
| Available in | English |
| Type | Chemoinformatics, molecular modelling, bioinformatics |
| License | LGPL 2.0 |
| Website | cdk |
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.
- ^ "The Chemistry Development Kit - Browse /OldFiles at SourceForge.net".
- ^ "cdk/cdk: CDK 2.10". ZENODO. 2025-01-10. doi:10.5281/zenodo.14624642.
- ^ 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.
- ^ 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.
- ^ 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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