Rejecting compounds containing unwanted atom types

User a681a7b90d

29-06-2011 16:12:29

Is it possible to configure the rare element checker in the structure checker to change which elements are considered acceptable to keep?  I'm not worried so much about rare elements as ones that we don't have good descriptor calculators for.


 


Thanks,


Andy

ChemAxon d76e6e95eb

29-06-2011 20:04:14

You can detect custom atom types/functional groups with Substructure Checker. You can define your unwanted atom types as SMARTS.