GraphSim TK 2.0.5

Major bug fixes

• The performance of the OEGetFPOverlap function improved on average for drug-like structures:

  • 15% for OEFPType.Path

  • 30% for OEFPType.Tree

  • 10% for OEFPType.Circular

  The improvement is significantly more for very complex molecules such as buckyball structures.