Dear All,
I am pleased to announce that we have just officially released a set of KNIME nodes that facilitate querying and retrieving data from the ChEMBL bioactivity database via our RESTful web services.
The nodes allow the user to retrieve bioactivity information for a given compound, assay or protein target in ChEMBL. Furthermore, the user can perform similarity, substructure and exact searches.
Further information, including example workflows can be found here.
Enjoy!
George
EMBL-EBI
Thank you for this contribution, this is a real improvement for the data mining of this public database in our daily job.
Olivier
Sanofi - Structure Design and Informatics
Hi,
I am figuring out how to work with the new nodes. Thanks for that contribution.
I followed your link, but did not find a hint to the EMBL nodes. Is there a documentation available?
I would like to fetch compounds that are related to a certain receptor.
Hi there,
You can find several related examples in the EXAMPLES Server. Just go to the KNIME explorer panel, login to the server and navigate to 099_Community/08_ChEMBL_WebService. Then drag this folder and drop it on your LOCAL folder. There are enough workflows there to get you started.
Cheers,
George