mychembl
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Improve exact match in RDKit / notebooks
We can make the RDKit exact match more like Symyx flex match There are 2 ways:
- Turn on stereo match:
set rdkit.do_chiral_sss=true;
If we do this, some examples in Francis's notebook will not be accurate any more - Complement exact match with more flexible InChI match - again this can be documented in the chembl vs. mychembl notebook