Salt stripping

ChemAxon 43e6884a7a

07-12-2006 10:34:05










Quote:
How do you handle stripping salts during "bulk registration" from an sd file?

Salt stripping can be solved by custom Standardizer rules.


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


Developer's guide: http://www.chemaxon.com/jchem/doc/guide/standardizer/index.html


Standardizer is integrated into JChem Base. You can specify the rules when you create the table. http://www.chemaxon.com/jchem/doc/user/Query.html#standardizationDB


Standardizer rules are stored in an XML (http://www.chemaxon.com/jchem/doc/user/StandardizerConfiguration.html) that can be created manually or using a GUI (http://www.chemaxon.com/jchem/doc/user/Standardizer.html#applicationgui)




Relevant actions are:


Removal: http://www.chemaxon.com/jchem/doc/user/StandardizerConfiguration.html#removalsec


Transformation: http://www.chemaxon.com/jchem/doc/user/StandardizerConfiguration.html#transformationsec




See this topic for more details: using standardizer action "keepone"