Files
rdkit/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp
Paolo Tosco c6503e9f8e Use query molecule rather than ambiguous SMARTS for MCS matching (#2759)
* - MatchFusedRings does not imply CompleteRingsOnly anymore

* - use a more specific query molecule rather than an ambiguous SMARTS string in MCSResult

* - changes in response to review
2019-12-16 04:57:54 +01:00

49 KiB
Executable File