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Showing 9 results. Use the filters on the left and the search box below to refine the results.
Tag: wikipathways User: Egon Willighagen Licence: by-sa

Workflow Finding nodes in Homo sapiens pathways wit... (1)

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Groovy script to find Homo sapiens metabolites encoded as GPML <Label> with OPSIN and provide ChemSpider identifiers. The results are stored in a report file.

Created: 2014-09-01

Credits: User Egon Willighagen

Attributions: Workflow Finding nodes in Anopheles gambiae pathways with IUPAC names

Workflow Finding nodes in Anopheles gambiae pathway... (1)

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Groovy script to find Anopheles g. metabolites encoded as GPML <Label> with OPSIN and provide ChemSpider identifiers.

Created: 2014-08-24

Credits: User Egon Willighagen

Attributions: Workflow Extracts metabolites from GPML pathway files downloaded from WikiPathways

Workflow Find Labels in WikiPathways that are IUPAC... (1)

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This scripts parses a directory with WikiPathways GPML files. For each "label" it checks if the label contains an IUPAC name (using OPSIN), calculated the InChIKey (using JNI-InChI/CDK), and looks up a ChemSpider identifiers (using the ChemSpider web service).

Created: 2013-08-20

Credits: User Egon Willighagen

Workflow Extracts metabolites from GPML pathway fil... (1)

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Extracts metabolites from a collection of GPML pathway files downloaded from WikiPathways, and opens structures with IUPAC names in a molecules table, using the CDK and OPSIN.

Created: 2013-08-16

Credits: User Egon Willighagen

Workflow Extracts metabolites from a GPML pathway d... (1)

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This Groovy scripts starts with a WikiPathways identifier, downloads the GPML, and uses the Groovy XmlParser to extract metabolites for which it reports the label, and if available, database and identifier.

Created: 2013-08-11 | Last updated: 2013-08-11

Credits: User Egon Willighagen

Workflow List all human metabolites in Wikipathways (1)

 List all human metabolites in Wikipathways, using the SPARQL end point.

Created: 2013-03-08

Credits: User Egon Willighagen

Workflow List all Kegg identifiers used for metabol... (1)

 List all Kegg identifiers used for metabolites in Wikipathways, using the SPARQL end point.

Created: 2013-03-08

Credits: User Egon Willighagen

Workflow List all sources from which metabolite ide... (1)

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 List all sources from which metabolite identifiers are used, sorted by use.

Created: 2013-03-08

Credits: User Egon Willighagen

Workflow List all Metabolites in WikiPathways (1)

 Looks up all metabolites in WikiPathways using its SPARQL end point.

Created: 2013-03-08 | Last updated: 2013-03-08

Credits: User Egon Willighagen

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