Snapshot of the Pack: Example PubChem, ChEBI and ChemSpider workflows

Downloaded Items (40)

• Workflow: Generate inChi    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:21:05)
  Comment: none
• Workflow: Generate inChi information    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:20:35)
  Comment: none
• Workflow: Generate InChi key    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:20:25)
  Comment: none
• Workflow: InChi key to ChemSpider identifier    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:20:14)
  Comment: none
• Workflow: InChi key to Inchi string    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:20:04)
  Comment: none
• Workflow: InChi key to MOL file    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:19:53)
  Comment: none
• Workflow: InChIToCSID    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:19:40)
  Comment: none
• Workflow: InChIStringToInChiKey    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:19:30)
  Comment: none
• Workflow: InChIStringToMolFile    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:19:16)
  Comment: none
• Workflow: InchiStringToSmiles    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:19:04)
  Comment: none
• Workflow: isValidInChiKey    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:18:49)
  Comment: none
• Workflow: MolToInchiString    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:18:39)
  Comment: none
• Workflow: MolToInchiKey    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:18:30)
  Comment: none
• Workflow: SmilesToInchi    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:18:20)
  Comment: none
• Workflow: Convert chemical identifier    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 09/07/2010, last edited on: 09/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:18:11)
  Comment: none
• Workflow: Get list of chemspider databases    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 12/07/2010, last edited on: 12/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:18:02)
  Comment: none
• Workflow: Get extended compound information    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 12/07/2010, last edited on: 12/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:17:53)
  Comment: none
• Workflow: Get extended compound information for a list of chemspider identifiers    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 12/07/2010, last edited on: 12/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:17:35)
  Comment: none
• Workflow: Get ChemSpider record in MOL format    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 12/07/2010, last edited on: 12/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:17:25)
  Comment: none
• Workflow: Get spectra information    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:17:11)
  Comment: none
• Workflow: Get compound spectra information    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:16:58)
  Comment: none
• Workflow: Get spectrum information    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:16:33)
  Comment: none
• Workflow: Asynchronous chemspider simple search    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:16:24)
  Comment: none
• Workflow: Get compound information    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:16:14)
  Comment: none
• Workflow: Get compound thumbnail    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:16:05)
  Comment: none
• Workflow: Get structure synonyms    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:15:50)
  Comment: none
• Workflow: chemspider identifier to MOL format    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:15:40)
  Comment: none
• Workflow: getLiteEntity    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:15:31)
  Comment: none
• Workflow: Asynchronous chemspider search by formula    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:15:24)
  Comment: none
• Workflow: Get complete chebi entity    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:15:11)
  Comment: none
• Workflow: Get complete entity by list    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:14:57)
  Comment: none
• Workflow: Get ontology parents    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:14:32)
  Comment: none
• Workflow: Get ontology children    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:14:26)
  Comment: none
• Workflow: Search structures in ChEBI database    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:14:16)
  Comment: none
• Workflow: Simple search    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 13/07/2010, last edited on: 13/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:14:08)
  Comment: none
• Workflow: file-similarity-entrez-url    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 2 (created on: 16/07/2010, last edited on: 16/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:13:59)
  Comment: none
• Workflow: smiles-identity-idlist    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 1 (created on: 16/07/2010, last edited on: 16/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:13:52)
  Comment: none
• Workflow: smiles-identity-idlist    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 2 (created on: 16/07/2010, last edited on: 16/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:13:45)
  Comment: none
• Workflow: PubChem substructure search    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 2 (created on: 16/07/2010, last edited on: 16/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:13:39)
  Comment: none
• Workflow: download    [ open local copy ]
  Type: Taverna 2
  Originally uploaded by: Peter Li
  Version: 2 (created on: 16/07/2010, last edited on: 16/07/2010)
  Version uploaded by: Peter Li
  

  Added to pack by: Peter Li (23/07/2010 @ 11:13:31)
  Comment: none