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ChEBI Searcher

EMBL-EBI extension for KNIME Workbench version 1.1.0.v201712111223 by EMBL-EBI

The database and ontology of Chemical Entities of Biological Interest (http://www.ebi.ac.uk/chebi/). This node uses ChEBI's SOAP web service to retrieve database records through substructure or keyword search.

Options

ChEBI Query
Column containing queries as Strings, SMILES, or SDF.
Get Lite Entity
Retrieves a list of "lite" entities containing only the ChEBI ASCII name and ChEBI identifier. The input parameters are a search string and a search category. If the search category is null then it will search under all fields. The search string accepts the wildcard character "*" and also unicode characters. You can get maximum results upto 5000 entries at a time.
Get Structure
Does a substructure, similarity or identity search using a structure.
Maximum Results
The maximum number of retrieved results.
Tanimoto Cutoff
The tanimoto cutoff for substructure searches (0-1).
Search Category Entity
The type of query input, e.g., Name, Definition, SMILES, Formula, etc.
Search Type
The search type for substructure searches.
Stars
Limits results to to either two or three stars.
Search Category Structure
The format of the query input for substructures searches, either SDF or SMILES.

Input Ports

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Table with ChEBI Ids

Output Ports

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Table with the retrieved results.

Best Friends (Incoming)

Best Friends (Outgoing)

Developers

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