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

Using OEChem to Extend PostgreSQL

• Introduction
  • RDBMS
  • PostgreSQL
  • Extensibility

• Tables and Columns
  • Structure tables
  • Properties, experimental data tables
  • Smiles, UniqID, Molfile columns

• SQL Functions
  • cansmiles, keksmiles
  • impsmiles and Smarts H-atoms
  • matches, count_matches

• Internals
  • C-extensions
  • Strings
  • Tables

• Examples and Timings
  • cansmiles, impsmiles
  • Search
  • Tox filters

• Limitations, Future, Acknowledgements
  • Speed or flexibility?
  • Fingerprints
  • New functions: contains(), select_matches(), react()
  • User extensions?