Aromatization of query structure: failure to match

User c3397108ba

05-10-2010 12:01:01

Dear support,

I have Instant J Chem version 5.3.8.

I have a structure table standadized: aromaticity: basic.

I fail to find two structures with a substructure query that contains the substructure (please see the example attached).

Is by any chance the query aromatized using a different aromatization method. (structures are standadized: aromaticity: basic).

Could you please help me understand why those queries do not match my structures?


Thanks in advance,


ChemAxon 42004978e8

06-10-2010 09:20:38

Hi Anna,


There is indeed an error when basic aromatization is used and the query has features that are handled at vague bond level 1.

In this case the query is aromatized with general aromatiztaion. For memory searches this problem was already solved in 5.3.7, now we are working on the DB solution.



ChemAxon 42004978e8

08-10-2010 11:47:31



The bug will be corrected in version 5.4.