exact match but disregard the chirality

User 55ffa2f197

05-05-2013 11:35:28

Hey I want to do the exact match using jc_compare(<target>,<query>,'t:s')=1. is there a way to disregard the chirality in both target and query molecules. We have put the cartridge index on the target column in molecule table, and it is a blob field. The query is mrv. We try not to create another column with the chirality information stripped off ...

Thanks


Dong


ChemAxon abe887c64e

06-05-2013 06:37:21

Hi Dong,


stereoSearchType:i can be used for ignoring all stereo information during the search.


We offer different search options for ignoring only tetrahedral, double bond, allene, axial, or syn/anti stereo information: http://www.chemaxon.com/jchem/doc/dev/cartridge/cartapi.html#jc_compare_stereoSearchType


Additionally, t:s in your jc_compare expression means substructure search (not exact search). For exact search we recommend to use t:d (duplicate search): http://www.chemaxon.com/jchem/doc/user/query_general_searchoptions.html#searchtype


Best regards,


Krisztina