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Search InChI in ChemSpider

Workflow Entry: Search InChI in ChemSpider

Created at: 30/03/09 @ 09:24:33 Last updated: 30/03/09 @ 09:43:07

Version 1 (of 1)

Version created on: 30/03/09 @ 09:24:33 by: Michael Gerlich | Revision comments Expand

Last edited on: 30/03/09 @ 09:43:08 by: Michael Gerlich

Title: Search InChI in ChemSpider

Type: Taverna 1

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Description

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.

Download

Download Workflow File/Package (SCUFL)

Run

Run this Workflow in the Taverna Workbench...

Option 1:

Launch in Taverna

Note: you need to have both the WHIP Launcher and the Taverna myExperiment/WHIP plugin installed on your machine for this to work. See here for information.

Option 2:

Copy and paste this link into File > 'Open workflow location...'
http://www.myexperiment.org/workflows/739/download?version=1
[ More Info Expand ]

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. See the Service entry for this web 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. See the Service entry for this web service.
GetExtendedCompoundInfoArray	arbitrarywsdl	Get array of extended record details by an array of CSIDs. Security token is required to get access to this service. See the Service entry for this web 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 Original Uploader

Michael Gerlich

Information License

All versions of this Workflow are licensed under:

Information Credits (1)

(People/Groups)

Michael Gerlich

Information Attributions (0)

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None

Information Tags (6)

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Information Ratings (0)

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Information Attributed By (0)

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Information Favourited By (0)

No one

Information Statistics

393 viewings

625 downloads

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Citations (0)

None

Version History

Earliest Version:
[1] - Search InChI in ChemSpider

Created on: Monday 30 March 2009 @ 09:24:33 (GMT)

Created by: Michael Gerlich

Last edited on: Monday 30 March 2009 @ 09:43:08 (GMT)

Last edited by: Michael Gerlich

Revision comments:

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This Workflow only has one version.

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Taverna 2

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License: Creative Commons Attribution-Share Alike 3.0 Unported License

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Tags (3):

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License: Creative Commons Attribution-Share Alike 3.0 Unported License

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Viewed: 198 times | Downloaded: 0 times

Tags (21):