Don't know where to start? Try with an example
Diclofenac,
Propranolol or
Nilotinib.
1 - Submit the query molecule
Upload a Mol2 file (only 1 molecule, with all hydrogens and 3D coordinates)
No SMILES available? Draw a molecule using the sketcher
2 - Select approach
MMFF-based
MATCH
MMFF-based + MATCH
3 - Launch parameterization
Reset form
(Provide a query molecule before submitting)







