Tool1

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Tool1 aka SEAvis

Question

What compounds contribute most to the SEA score between any two targets?

Approach

We have a tool (contact John for details).

  • Specify first target
  • Specify second target
  • default is atype=0 (Binding, 10uM or better)
  • click GO

Run can take a while. We are working on this. It may take 5 or 10 mins, particularly if you are comparing two targets with 3000+ ligands each. If the number of ligands is small (< 100) then it just takes seconds.


This feature is also available as a python script on the Toronto cluster.