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The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics
Open accessAbstract
The Chemistry Development Kit (CDK) is a freely available open-source Java library for Structural Chemo- and Bioinformatics. Its architecture and capabilities as well as the development as an open-source project by a team of international collaborators from academic and industrial institutions is described. The CDK provides methods for many common tasks in molecular informatics, including 2D and 3D rendering of chemical structures, I/O routines, SMILES parsing and generation, ring searches, isomorphism checking, structure diagram generation, etc. Application scenarios as well as access information for interested users and potential contributors are given.
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Metadata
- Authors
- Steinbeck, C., Han, Y., Kuhn, S., Horlacher, O., Luttmann, E., & Willighagen, E.
- Venue
- Journal of Chemical Information and Computer Sciences
- Publisher
- American Chemical Society (ACS)
- Published
- 2003-02-11
- Volume
- 43
- Issue
- 2
- Pages
- 493-500
- ISSN
- 0095-2338 (ISSN-L)
- 1520-5142
- OpenAlex
- W2148797284
- Cited by
- 1,108
- References
- 0
- FWCI
- 12.38
- Type
- journal article
- Language
- en
- Open access
- hybrid
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