Review
doi: 10.2174/138161206777585274.
Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics
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- PMID: 16796559
- DOI: 10.2174/138161206777585274
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Review
Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics
Curr Pharm Des.
2006.
Abstract
The Chemistry Development Kit (CDK) provides methods for 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. Implemented in Java, it is used both for server-side computational services, possibly equipped with a web interface, as well as for applications and client-side applets. This article introduces the CDK's new QSAR capabilities and the recently introduced interface to statistical software.
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