title: The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics.
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.
authors.affiliation: Max-Planck-Institute of Chemical Ecology, Jena, Germany. c.steinbeck@uni-koeln.de
authors.forename: Christoph
authors.initials: C
authors.lastname: Steinbeck
authors.forename: Yongquan
authors.initials: Y
authors.lastname: Han
authors.forename: Stefan
authors.initials: S
authors.lastname: Kuhn
authors.forename: Oliver
authors.initials: O
authors.lastname: Horlacher
authors.forename: Edgar
authors.initials: E
authors.lastname: Luttmann
authors.forename: Egon
authors.initials: E
authors.lastname: Willighagen