Pack: Example PubChem, ChEBI and ChemSpider workflows
Title: Example PubChem, ChEBI and ChemSpider workflows
Description
This pack contains example pipelines showing how the PubChem, ChEBI and ChemSpider web services can be called from Taverna workflows.
Descriptions of the operations found in the PubChem, ChEBI and ChemSpider web services are available at http://www.taverna.org.uk/introduction/related-projects/chemtaverna/chemistry-web-services.
Items (40)
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Workflow: Asynchronous chemspider search by formula (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:15:24)
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Workflow: Asynchronous chemspider simple search (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:16:24)
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Workflow: chemspider identifier to MOL format (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:15:40)
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Workflow: Convert chemical identifier (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:18:11)
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Added by Peter Li ... more than 1 year ago (2010-07-23 11:13:31)
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Workflow: file-similarity-entrez-url (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:13:59)
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Workflow: Generate inChi (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:21:05)
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Workflow: Generate inChi information (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:20:35)
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Workflow: Generate InChi key (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:20:25)
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Workflow: Get ChemSpider record in MOL format (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:17:25)
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Workflow: Get complete chebi entity (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:15:11)
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Workflow: Get complete entity by list (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:14:57)
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Workflow: Get compound information (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:16:14)
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Workflow: Get compound spectra information (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:16:58)
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Workflow: Get compound thumbnail (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:16:05)
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Workflow: Get extended compound information (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:17:53)
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Workflow: Get extended compound information for a list of chemspider identifiers (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:17:35)
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Workflow: Get list of chemspider databases (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:18:02)
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Workflow: Get ontology children (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:14:26)
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Workflow: Get ontology parents (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:14:32)
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Workflow: Get spectra information (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:17:11)
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Workflow: Get spectrum information (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:16:33)
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Workflow: Get structure synonyms (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:15:50)
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Workflow: getLiteEntity (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:15:31)
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Workflow: InChi key to ChemSpider identifier (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:20:14)
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Workflow: InChi key to Inchi string (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:20:04)
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Workflow: InChi key to MOL file (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:19:53)
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Workflow: InChIStringToInChiKey (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:19:30)
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Workflow: InChIStringToMolFile (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:19:16)
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Workflow: InchiStringToSmiles (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:19:04)
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Workflow: InChIToCSID (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:19:40)
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Workflow: isValidInChiKey (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:18:49)
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Workflow: MolToInchiKey (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:18:30)
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Workflow: MolToInchiString (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:18:39)
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Workflow: PubChem substructure search (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:13:39)
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Workflow: Search structures in ChEBI database (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:14:16)
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Workflow: Simple search (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:14:08)
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Workflow: smiles-identity-idlist (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:13:52)
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Workflow: smiles-identity-idlist (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:13:45)
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Workflow: SmilesToInchi (Peter Li)
Added by Peter Li ... more than 1 year ago (2010-07-23 11:18:20)
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Tags from Items (13)
- chebi
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- cheminformatics
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- chemspider
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- database
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- format_conversion
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- image
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- inchi
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- mass_spectrometry
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- ontology
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- openbabel
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- pubchem
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- similarity_search
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- smiles
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