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Add info about mergeHs to README. (#5910)

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Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
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David Cosgrove
2023-01-03 05:47:01 +00:00
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@@ -10,3 +10,8 @@ Cheminformatics Libraries. Mol. Inform. 30, 847–850 (2011).
Many of the individual SMARTS definitions have been edited in order to
get them working properly with the RDKit.
Note that these SMARTS contain explicit hydrogen atoms, so are best
used with merged H queries, such as with the mergeHs=True option in
MolFromSmarts. See Greg's blogpost
http://rdkit.blogspot.com/2015/08/curating-pains-filters.html for more
information.