How can we removes molecules that contain Br and I

User 0e345a0616

28-10-2014 06:24:10

How can we remove molecules other than H,C,N,O in instan jchem  and how can we removes molecules that contain Br and I


Please reply its urgent

ChemAxon 2bdd02d1e5

29-10-2014 15:03:02

Great day, Madam!


You can return other molecules that does not contain one of the following atoms H,C,N,O by running a query which is depicted on screenshot. It is done in query builder. All substructure searches of each from above atom have logical operand AND and returns non-hits.
What is returned can be then easily removed from Grid view.


Molecules that contains Br and I can be removed by searching for (substructure search Br) AND (substructure search I). Returned results can be again removed from Grid view.


These searching tricks are more detailed explained at https://docs.chemaxon.com/display/instantjchem/Query+Builder#QueryBuilder-and-or and at https://docs.chemaxon.com/display/instantjchem/Query+Builder#QueryBuilder-struct-fields


Hope it helps!


Filip

ChemAxon 2bdd02d1e5

29-10-2014 16:15:30

And the image...


Does this information help?