GraphSim TK 2.3.1

New features

• The following API has been added to provide access to underlying data generated for OEFPType.Path, OEFPType.Tree, and OEFPType.Circular fingerprint types:

  • OEFPPattern
  • OEGetFPPatterns

• The performance of the OEGetFPCoverage function has been improved.

• The following functions have been added to help generate consistent command line interfaces for 2D molecule similarity examples and utilities:

  • OEConfigureFingerPrint and the corresponding OESetupFingerPrint
  • OEConfigureFPDatabaseOptions and the corresponding OESetupFPDatabaseOptions

  Generated interfaces include correspondence between each command line option and its related entry point in OEGraphSim TK.

Documentation changes

• A new Fingerprint Patterns chapter has been added.