EMBL-EBI extension for KNIME Workbench version 1.1.0.v201712111223 by EMBL-EBI
Node which tabulates information from the XML web service of ChEMBLdb.
Users can look-up ChEMBL IDs representing compounds, assays or targets and retrieve tabulated information on them, in addition to the relevant bioactivity data If a UNIPROT protein accession number is provided, this takes priority over ChEMBL IDs for doing target searches.
Alternatively an InChiKey can be provided to perform an exact structure search, or canonical SMILES to perform substructure or similarity searches against ChEMBL molecules (retrieves same information as a compound search).
NOTE: The tab clicked on determines the search used (so if the user closes the configuration dialog with the look-up tab in focus, a look-up search will be performed, and vice versa for compound searching).
Author: Edmund Duesbury (EBI Summer 2012).Acknowledgements:
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