Snapshot of the Pack: Open PHACTS Drug Discovery FAQ Workflows

Downloaded Items (14)

• Workflow: Q5: For molecules that contain substructure X, retrieve all bioactivity data in serine protease assays.    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 29/09/2014, last edited on: 29/09/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:15:59)
  Comment: none
• Workflow: Q1: Give me all oxidoreductase inhibitors active <100 nM in human and mouse    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 2 (created on: 22/10/2014, last edited on: 02/06/2015)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:15:50)
  Comment: none
• Workflow: Q3: Given a target find me all actives against that target. Find/predict polypharmacology of actives    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 22/10/2014, last edited on: 22/10/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:15:40)
  Comment: none
• Workflow: Q6:For a specific target family, retrieve all compounds in specific assays    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 22/10/2014, last edited on: 22/10/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:15:31)
  Comment: none
• Workflow: Q7: For a target, give me all active compounds with the relevant assay data and Q17: For my specific target, which active compounds have been reported in the literature?    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 22/10/2014, last edited on: 22/10/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:14:48)
  Comment: none
• Workflow: Q8:Identify all known protein-protein interaction inhibitors    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 22/10/2014, last edited on: 22/10/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:14:33)
  Comment: none
• Workflow: Q9:For a given compound, give me the interaction profile with targets.    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 22/10/2014, last edited on: 22/10/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:14:25)
  Comment: none
• Workflow: Q10:For a given compound, summarize all similar compounds and their activities.    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 22/10/2014, last edited on: 22/10/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:14:16)
  Comment: none
• Workflow: Q11: Retrieve all data for a given list of compounds depicted by their chemical structure (SMILES) with options to match stereochemistry.    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 22/10/2014, last edited on: 22/10/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:14:01)
  Comment: none
• Workflow: Q15: a) Which chemical series have been shown to be active against target X? b) Which new targets have been associated with disease Y?    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 22/10/2014, last edited on: 22/10/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:13:55)
  Comment: none
• Workflow: Q16:Targets in Parkinson's disease or Alzheimer's disease are activated by which compounds? and Q20: For a given disease, retrieve all targets in the pathway and all active compounds hitting them.    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 22/10/2014, last edited on: 22/10/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:13:36)
  Comment: none
• Workflow: Q18:For pathway X, find compounds that agonize targets assayed in only functional assays with potency <1 µM.    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 22/10/2014, last edited on: 22/10/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:13:18)
  Comment: none
• Workflow: Q19: For the targets in a given pathway, retrieve the compounds that are active with more than one target.    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 22/10/2014, last edited on: 22/10/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:12:59)
  Comment: none
• Workflow: Q4: For a given interaction profile, give me similar compounds.    [ open local copy ]
  Type: KNIME
  Originally uploaded by: Christine Chichester
  Version: 1 (created on: 22/10/2014, last edited on: 22/10/2014)
  Version uploaded by: Christine Chichester
  

  Added to pack by: Christine Chichester (05/11/2014 @ 11:12:49)
  Comment: none