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.
|Number of pages||8|
|Journal||Journal of Chemical Information and Computer Sciences|
|Publication status||Published - 2003|
|Event||6th International Conference on Chemical Structures - Noordwijkerhout, Netherlands|
Duration: 1 Jun 2002 → …
- CHEMICAL INFORMATION
- RING PERCEPTION