Docking results from John on the 204 compounds that were selected by the medchemist team in the second call.
Docked results ready here:
@reskyner: See the SDF here:
Only 179 made it through (I think because some had a nitrile as well, confusing the detection of covalent warheads). I’m working on fixing that now.
Rachael, will it be on fragalysis soon?
John, do you need help with the ones that failed?