Workflows

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

• Download

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: Egon Willighagen

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

• Download

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: Egon Willighagen

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

• Download

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: Egon Willighagen

List all human metabolites in Wikipathways (1)

• Download

Created: 2013-03-08

Credits: Egon Willighagen

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

• Download

Created: 2013-03-08

Credits: Egon Willighagen

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

• Download

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

Created: 2013-03-08

Credits: Egon Willighagen

List all Metabolites in WikiPathways (1)

• Download

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

Credits: Egon Willighagen