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- Title
Recent developments of the chemistry development kit (CDK) - an open-source java library for chemo- and bioinformatics.
- Authors
Steinbeck, Christoph; Hoppe, Christian; Kuhn, Stefan; Floris, Matteo; Guha, Rajarshi; Willighagen, Egon L
- 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.
- Publication
Current pharmaceutical design, 2006, Vol 12, Issue 17, p2111
- ISSN
1381-6128
- Publication type
Journal Article
- DOI
10.2174/138161206777585274