Search structures in ChEBI database

Created: 2010-07-13 15:08:20 Last updated: 2010-07-13 15:10:10

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Does a substructure, similarity or identity search using a structure in the Chebi database

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Inputs (5)

Name	Description
structure	A compound represented by its smiles notation
searchCategory	Type of search to perform. Has to be a value from Type of search to perform. Has to be a value from SIMILARITY, SUBSTRUCTURE, IDENTITY Type of search to perform. Has to be a value from SIMILARITY, SUBSTRUCTURE, Type of search to perform. Has to be a value from SIMILARITY,
tanimotoCutoff	The tanimoto cutoff value
totalResults	Max number of results
structureFormat	Type of structure used as input. Has to be a value from MOLEFILE, CML or SMILES. Type of structure used as input. Has to be a value from MOLFILE, CML or SMILES. Type of structure used as input. Has to be a value from

Processors (3)

Name	Type	Description
getStructureSearch	wsdl	Wsdl http://www.ebi.ac.uk/webservices/chebi/2.0/webservice?wsdl Wsdl Operation getStructureSearch
getStructureSearch_input	xmlsplitter
getStructureSearch_result	xmlsplitter

Beanshells (0)

Outputs (1)

Name	Description
results

Datalinks (8)

Source	Sink
getStructureSearch_input:output	getStructureSearch:parameters
structure	getStructureSearch_input:structure
searchCategory	getStructureSearch_input:structureSearchCategory
tanimotoCutoff	getStructureSearch_input:tanimotoCutoff
totalResults	getStructureSearch_input:totalResults
structureFormat	getStructureSearch_input:type
getStructureSearch:result	getStructureSearch_result:input
getStructureSearch_result:return	results

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Information Workflow Type

Taverna 2

Information Uploader

Peter Li

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Peter Li

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Information Statistics

3254 viewings

1572 downloads

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Search structures in ChEBI database

Created by Peter Li on Tuesday 13 July 2010 15:08:20 (UTC)

Last edited by Peter Li on Tuesday 13 July 2010 15:10:10 (UTC)

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Other workflows that use similar services (6)

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Taverna 2

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Peter Li

getLiteEntity (1)

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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.