## TRY-UNI-714a760b-6 In the placement of a user submitted compound an issue occurs sometimes, wherein the code gets confused. `TRY-UNI-714a760b-6` is such a case. victor = MProVictor.from_hit_codes(smiles='Cc1ccncc1NC(=O)Cc1cccc(Cl)c1', hit_codes=['x0107','x0434','x0678','x0995','x1382'], long_name='TRY-UNI-714a760b-6') actual = MProVictor.get_mol('x2646') victor.make_pse(extra_mols=[actual]) rmsd = victor.validate(reference_mol=actual) The human chose * the methylpyridine off x0107 * the benzene-pyridine off x0434, but wanted an amide not a ureido * the link between the rings as amide x0678 * x0995 is a red herring (this is a big problem with the postera dataset see [covid.md](covid.html)) * benzene with a chroride from x1382 ![TRY-UNI-714a760b-6.png](_static/TRY-UNI-714a760b-6.png) The only way to resolve it is to run it strict on the discard (which increases the strikes of `Unmerge` to 20). Victor.monster_throw_on_discard = True victor = MProVictor.from_hit_codes(smiles='Cc1ccncc1NC(=O)Cc1cccc(Cl)c1', #hit_codes=['x0107','x0434','x0678','x0995','x1382'], hit_codes=['x0107' ,'x0434', 'x1382'], long_name='TRY-UNI-714a760b-6') This works. However, it required a human to chuck out the red herring.