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.