2023_09_1 (Q3 2023) Release



  • The new RascalMCES code adds a very fast maximum common substructure
    implementation for pairs of molecules.
  • The RDKit core now supports “generalized substructure searching”, making it
    easier to take link nodes, variable attachment points, and tautomer queries
    into account when doing substructure searches. This is now also supported in
    the PostgreSQL cartridge.
  • The RDKit now has support for reading and writing MRV files.

Plus lots of other changes and enhancements

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