Chemistry Development Kit CDK

Guha, 1C (2006) Chemistry Development Kit (CDK) descriptor calculator GUI (v 0.46). http //cheminfo.informatics. indiana.edu/rguha/code/java/cdkdesc.html (accessed October 2006). [Pg.89]

Steinbeck, C., Hoppe, C., Kuhn, S., Floris, M., Guha, R, Willighagen, E. L. (2006) Recent developments of the Chemistry Development Kit (CDK) - an open-source JAVA library for chemo and bioinformatics. Curr Pharm Des 12(17), 2110-2120. [Pg.89]

The Chemistry Development Kit (CDK) Application Programming Interface (API) (7), OpenBabel (8), or CORINA... [Pg.348]

Steinbeck, C., Han, Y., Kuhn, S., Horlacher, O., Luttmann, E. and Willighagen, E. (2003) The chemistry development kit (CDK) an open-source Java library for chemo- and bioinformatics. [Pg.1176]

Steinbeck C, Han Y, Kuhn S, Horlacher O, Luttraann EE, Willighagen E (2003) The chemistry development kit(CDK) an open source JAVA library for Chemo-and Bioinformatics. J Chem Informat Model 43 493-500... [Pg.90]

SMILES notation of a molecule can be input to calculate properties/descriptors using open-source programs. The Chemistry Development Kit (CDK) is a scientific, Lesser General Public License (LGPL)-ed library for bio- and cheminformat-... [Pg.95]

Workflow is the connection of sequential steps for data management and analysis in chemistry. There are several tools for creating a workflow or pipelines Aeeehys ipeline Pilot [11], IDBS Chemsense (Inforsense snite) [12], chemistry development kit (CDK) Tavema [13], KNIME [14] etc. [Pg.453]

CDK Independent developers The Chemistry Development Kit (CDK) is a Java library for structural chemo- and bioinformatics. Calculates 260 types of descriptors http //cdk.sourceforge.neV... [Pg.335]

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