OEMedChem TK 1.1.1

New features

• The following APIs for fast multithreaded generation of matched pair indices, introduced in the 2018.Oct release, have graduated from preliminary API to stable API status:

  • OECreateMMPIndexFile function

  • OECreateMMPIndexStatus class

  • OECreateMMPIndexOptions class

  They are now also available in Python, Java, and C#.

Documentation changes

• The following examples that create a Matched Molecule Pair index were modified to fix an issue with the SD data handling (options -keepSD, -clearSD, -allSD):

  • Matched Pair analysis generation of a MMP index

  • Matched Pair analysis using a multi-process generation of an MMP index