I'm trying to use the FeatureMaps functionality in RDKit (described here
http://rdkit.blogspot.com/2017/11/using-feature-maps.html) and have a
question on the parameters for CombineFeatMaps.
See here:
http://rdkit.org/docs/source/rdkit.Chem.FeatMaps.FeatMapUtils.html?highlight=combinefeatmaps#rdkit.Chem.FeatMaps.FeatMapUtils.CombineFeatMaps
In particular what is the meaning of the 'mergeMetric' param (Distance
vs. Overlap) and the 'dirMergeMode' param (NoMerge vs. Sum). And there
is a class for MergeMethod that seems relevant but that is not part of
the parameters for CombineFeatMaps.
Thanks
Tim
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