@article {Steinbeck:June 2006:1381-6128:2111, author = "Steinbeck, Christoph", author = "Hoppe, Christian", author = "Kuhn, Stefan", author = "Floris, Matteo", author = "Guha, Rajarshi", author = "Willighagen, Egon L.", title = "Recent Developments of the Chemistry Development Kit (CDK) - An Open-Source Java Library for Chemo- and Bioinformatics", journal = "Current Pharmaceutical Design", volume = "12", year = "June 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.", pages = "2111-2120(10)", url = "http://www.ingentaconnect.com/content/ben/cpd/2006/00000012/00000017/art00005" doi = "doi:10.2174/138161206777585274" }