I don't think Fixed-H InChIs will help here. The InChI was never
intended as a way to store chemical information, but just to be an
index, so that several tautomeric forms will all give the same InChI.
If you use it to store structures, then you have to accept that the
original structure will be no
Hi,
I have a database with standard InChI's that I would like to do substructure
matches on with openbabel/pybel. My problem is that the InChI's are given with
non-intuitive tautomers (eg. amides have the double bond to the nitrogen
instead of the oxygen if possible), leading to confusion when
