Structure search: Query

Dear Support,





I have a problem with NO2 query.


Some are represented with O=N+ O- and some others with O=N=O


if the Query got a clip group R1 = NO2 choosed in the menu:


Groups >> N >> NO2


I can find O=N=O but not the first one.





Do I need to standardize the database to transform all the NO2 to O=N=O?


Or is there a possibility to choose a search option so as it can match.


for example I can do as so:

Code:

searcher.setExactChargeMatching(false);

but the problem of valence is still there...





I know it concerne the tautomeric search, but if you have any advice to solve that (standardize? option search?) it would help.





Thank you very much


Warmest Regards


Jacques

I think, that it is the best if you have a standardized table. Do not be afraid of standardizing, your original structures remain intact, the compact standardized versions are stored separately and used during the search procedure only.





Standardizer doc:


http://www.chemaxon.com/jchem/doc/user/Standardizer.html





Examples (including nitro):


http://www.chemaxon.com/jchem/doc/user/Standardizer_files/examples/Examples.html





Adding standardization to JChem tables:


http://chemaxon.com/jchem/doc/admin/index.html#standardization

thank you very much.


I will start with the option to standardize the database.