The matched pair analyzer now supports the identification of matched
molecular pairs that differ by heavy-atom and hydrogen-atom substitutions.
This additional indexing activity returns significantly more matched molecular
pairs than the previous version. The hydrogen-atom indexing activity has been enabled by default.
To perform heavy-atom indexing only, remove the
OEMatchedPairOptions.IndexHSites option from
OEMatchedPairOptions.Default and set the desired
option(s) explicitly via OEMatchedPairAnalyzerOptions.SetOptions.
The matched pair analyzer now supports single bond insertion differences
between matched molecular pairs. Previously, a minimum change of 1-atom was
identified in the substituent change between the matched pairs.