CDK
The Chemistry Development Kit (CDK) is the most widely used free and open chemoinformatics Java library (http://www.ebi.ac.
» DetailsThe Chemistry Development Kit (CDK) is the most widely used free and open chemoinformatics Java library (http://www.ebi.ac.uk/Tools/cdkweb/). The CDK provides a wide range of functionalities including reading and writing chemical file formats, ring and aromaticitiy perception, canonicalization, descriptor calculation for virtual screening, fingerprints and substructure searching. Written in Java, CDK-based workflows can be easily exposed as web services in-house, or be integrated into your web applications. If you want to obtain more information please contact us at info@embl-em.de
Molecular Consulting and Services
Consultancy support is now available from the Steinbeck team at the European Bioinformatics Institute (http://www.ebi.ac.
» DetailsConsultancy support is now available from the Steinbeck team at the European Bioinformatics Institute (http://www.ebi.ac.uk/steinbeck/). Over the past 15 years the Steinbeck team has developed, maintained and contributed to a number of leading open source software packages in molecular informatics including the Chemistry Development Kit (CDK), CDK-Taverna, OrChem, KNIME and Bioclipse. Consultancy suppport through customized workshops enables you to integrate those tool kits into your infrastructure. Chemoinformatics services such as virtual screens, database set-up and maintenance are also provided.If you want to obtain more information please contact us at info@embl-em.de