Due to overload by many long jobs, the service was not properly working. Some calculations submitted on May 29 and 30 were lost. Please do not launch long jobs in parallel.

Don't know where to start? Try with an example Diclofenac, Propranolol or Nilotinib.
1 - Enter a molecule in SMILES format
  No SMILES available? Draw a molecule using the sketcher
2 - Select a class of compounds
Please, select a class of compounds here:  


3 - Select compound library and screening method
2D
3D
2D & 3D
Put the mouse over a radio button to see the corresponding computation time
FP2
ECFP4
MHFP6
Pharmacophore
ErG
Scaffold
Generic Scaffold
Electroshape
E3FP
Combined
4 - Submit
  Reset form

(Provide a query molecule, and select a compound library and a screening method before submitting)