http://www.gnova.com/pgchem/cup2005/

Using OEChem to Extend PostgreSQL

• Internals
  • C-extensions
    • Extensions vs. interfaces
    • PostgreSQL >> generic C Smiles/Smarts functions >> OEChem c++ (other Smiles/Smarts libraries).
  • Strings
    • Smiles strings easily computed/stored, but reparsed for each row; slower. *Current implementation*
    • OEMol objects not easily stored, although no reparsing needed; faster. *Possible enhancement*
  • Tables
    • Searched using SQL Where clause.
    • Searched using a new select function.