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