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freepackage

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FREE PACKAGE

After registration, all mcule users get immediate access to the Free package. All features of the Free package are included in the other packages. Here is a list of features and tools that are available in the Free package:

Tools

Features

  • NCI (National Cancer Institute) screening collection (coming soon!)
  • ChEMBL collection (reference molecules with activity data) (coming soon!)

Limitations

  • Max nb of collections: 100
  • Max nb of molecules in one collection: 10,000
  • Max nb of parallel running searches/screens: 5
  • SMARTS query filter: max 5 queries per filter
  • SMARTS query filter: max 1 filter per workflow
  • Docking (Vina): max 500 input molecules per month
  • Docking (Vina): max 1 filter per workflow
  • Diversity selection: max 10,000 input molecules per month
  • Molecule upload: max 500 molecules (if some of them are delete, new molecules can be uploaded)
freepackage.1382027861.txt.gz · Last modified: 2013/10/17 16:37 by sanmark