Web Release Date: February 11,
The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics
and
Max-Planck-Institute of Chemical Ecology, Jena, Germany, TheraSTrat AG, Allschwil, Switzerland, Institute of Organic Chemistry, University of Paderborn, Germany, and Nijmegen, The Netherlands
Received August 17, 2002
Abstract:
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.
Download the full text: PDF | HTML
