Chemical2URIs

Created: 2015-08-18 15:01:05

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This workflow will map a chemical name or identifier to uniform resource identifiers (URIs). First the ChemSpider web service is used to map the chemical name to a ChemSpider identifier, then the ChemSpider identifier is mapped to URIs via the Open PHACTS platform.

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Authors (1)

Titles (1)

Descriptions (1)

Dependencies (0)

Inputs (1)

Name	Description
Chem_name	Can be the trivial name, SMILES, InChI, InChIKey, or Chemical Abstract Service number.

Processors (3)

Name	Type	Description
Chemical_name_to_chemspider_ID	workflow	This workflow maps a chemical name to a ChemSpider identifier.
Token	stringconstant	The value should be your ChemSpider token. Value your token here
Workflow40	workflow	This workflow maps a ChemSpider identifier to uniform resource identifiers using the Open PHACTS platform.

Beanshells (0)

Outputs (1)

Name	Description
uri_out

Datalinks (4)

Source	Sink
Token:value	Chemical_name_to_chemspider_ID:Token
Chem_name	Chemical_name_to_chemspider_ID:ChemicalNameOrID
Chemical_name_to_chemspider_ID:CSIDs	Workflow40:id_in
Workflow40:mapped_uris	uri_out

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Information Workflow Type

Taverna 2

Information Uploader

Kristina Hettne

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Information Statistics

1990 viewings

1295 downloads

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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.

Created: 2009-03-30 | Last updated: 2009-03-30

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Chemical2URIs

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Other workflows that use similar services (10)