Tool1

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.