Search InChI in ChemSpider

Created: 2009-03-30 09:24:33 Last updated: 2009-03-30 09:43:07

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This workflows queries ChemSpider for compound information and compound images. Note that a Chemspider security token is needed in order to access some of the ChemSpider services (receive one by registering at ChemSpider).

Possible search terms might be InChI codes, ChemSpider identifiers or names.

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http://myexperiment.org/workflows/739/download?version=1
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Workflow Components

Inputs (2)

Name	Description
query
token

Processors (8)

Name	Type	Description
SimpleSearch	arbitrarywsdl	Try to find whatever is entered. Return the list of found IDs. Security token is required to get access to this service.
SimpleSearch_in	local
SimpleSearch_out	local
GetCompoundThumbnail	arbitrarywsdl	Get compound thumbnail in PNG format. Security token is required to get access to this service.
GetExtendedCompoundInfoArray	arbitrarywsdl	Get array of extended record details by an array of CSIDs. Security token is required to get access to this service.
GetInfoArray_in	local
GetCompoundThumbnail_in	local
GetCompoundThumbnail_out	local

Beanshells (0)

Outputs (2)

Name	Description
ChemSpider_compound_info
ChemSpider_compound_image

Links (13)

Source	Sink
GetCompoundThumbnail:parameters	GetCompoundThumbnail_out:input
SimpleSearch:parameters	SimpleSearch_out:input
SimpleSearch_in:output	SimpleSearch:parameters
query	SimpleSearch_in:query
token	SimpleSearch_in:token
GetCompoundThumbnail_in:output	GetCompoundThumbnail:parameters
GetInfoArray_in:output	GetExtendedCompoundInfoArray:parameters
SimpleSearch_out:SimpleSearchResult	GetInfoArray_in:CSIDs
token	GetInfoArray_in:token
SimpleSearch_out:SimpleSearchResult	GetCompoundThumbnail_in:id
token	GetCompoundThumbnail_in:token
GetCompoundThumbnail_out:GetCompoundThumbnailResult	ChemSpider_compound_image
GetExtendedCompoundInfoArray:parameters	ChemSpider_compound_info

Coordinations (0)

Information Workflow Type

Taverna 1

Information Uploader

Michael Gerlich

Information License

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Information Version 1 (of 1)

Information Credits (1)

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Michael Gerlich

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Information Statistics

2387 viewings

2114 downloads

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Citations (0)

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Version History

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Search InChI in ChemSpider

Created by Michael Gerlich on Monday 30 March 2009 09:24:33 (UTC)

Last edited by Michael Gerlich on Monday 30 March 2009 09:43:08 (UTC)

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