tautomers in structures search

User dfeb81947d

27-06-2005 15:24:08

Dear support,





Are tautomers took account in structure search?


for example I don't find the same result if I take one or the other structure.


Is there an option that allow someone to make a search using tautomers?





Thank you for your explanation


Kind regards


Jacques

ChemAxon a3d59b832c

28-06-2005 06:39:12

Jacques,





We are currently working on a tautomer option of search.





Until it is completed, you can use Standardizer to convert all molecules to a preferred tautomeric form during database registration. You can find some standardization examples converting tautomers and isomers on the following link:





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





Best regards


Szabolcs

User dfeb81947d

29-06-2005 09:34:44

thank you for the answer.


I look forward to play with this option.





Best regards


Jacques

ChemAxon a3d59b832c

26-10-2006 09:29:44

JChem 3.2 is released, and it now contains the tautomer search option.


See: http://www.chemaxon.com/jchem/doc/user/Query.html#tautomer





Please note that for tautomer searching, you need to have the Tautomer plugin license.