Structure Checker in the Cartridge

Is the structure checker functionality available in the JChem cartridge?  I know that generally everything is done in java and available through jchem base but I can't seem to find how I would use it in Oracle.

Thanks in advance,

Jim

Jim,

This functionality will be available through jc_evaluate(_x) in the form of Chemical Terms starting with JChem version 5.4.

Preview of the documentation:

1. The following SQL query checks the structure for errors, according to the configuration:
   
   select jc_evaluate('C[C](C)(C)(C)c1ccocc1', 'isValid("aromaticity..valence..queryAtom..queryBond")') from dual;
   
   Returns 0 indicating that the structure is not valid.
    


2. The following SQL query checks the structure for errors, according to the configuration, returns the result (passed/failed) along with (in the case of the structure is invalid) a short explanation why the structure is invalid:
   
   select jc_evaluate_x('C[C](C)(C)(C)c1ccocc1', 'chemTerms:check("aromaticity..valence..queryAtom..queryBond")') from dual;
   
   Returns:
   
   failed, Aromaticity Error Checker: 6 wrong aromatic bonds found, Valence Error Checker: 1 atom with valence problem found
    


3. The following SQL queries check the structure for errors, according to the configuration, and then fixe the errors:
   
   select jc_evaluate_x('[H]C1=C([H])C([H])=C([3H])C([2H])=C1[1H]', 'chemTerms:fix("explicitH->removeExplicitH..valence->fixValence..bondAngle->clean..atomMap..abbrevGroup->contractGroup")') from dual;
   
   returns:
   
   c1ccccc1
   
   select jc_evaluate_x('[CH3:1][C:3]([OH:2])=[O:4]', 'chemTerms:fix("explicitH->removeExplicitH..valence->fixValence..bondAngle->clean..atomMap..abbrevGroup->contractGroup")') from dual;
   
   returns:
   
   CC(O)=O

Peter

Jim,

JChem 5.4.0.0 has been released with this feature included.

Peter