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"