Search InChI in ChemSpider

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

Download Workflow

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.

Preview

Download as scalable diagram (SVG)

Run

Run this Workflow in the Taverna Workbench...

Option 1:

Copy and paste this link into File > 'Open workflow location...'
http://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.
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

All versions of this Workflow are licensed under:

Information Version 1 (of 1)

Information Credits (1)

(People/Groups)

Michael Gerlich

Information Attributions (0)

(Workflows/Files)

None

Information Tags (6)

Uploader tags

Log in to add Tags

Information Shared with Groups (0)

None

Information Featured In Packs (0)

None

Log in to add to one of your Packs

Information Attributed By (0)

(Workflows/Files)

None

Information Favourited By (0)

No one

Information Statistics

2434 viewings

2148 downloads

[ see breakdown ]

Citations (0)Version History

None

Reviews (0)

No reviews yet

Be the first to review!

Comments (0)

View Timeline

No comments yet

Log in to make a comment

Other workflows that use similar services (17)

Only the first 2 workflows that use similar services are shown. View all workflows that use these services.

Taverna 1

Uploader

Michael Gerlich

getInchIfromMassBankPeaklist_ChemSpider_wo... (2)

Download

uses InChI's retrieved from a MassBank peaklist query to get compound information about those compounds via querying ChemSpider for information and displaying those results with image

Created: 2008-06-05 | Last updated: 2008-06-16

Credits: Michael Gerlich

Taverna 2

Uploader

Peter Li

Asynchronous chemspider search by formula (1)

Download

Performs an asynchronous search on ChemSpider by molecular formula

Created: 2010-07-13 | Last updated: 2010-07-13

Credits: Peter Li