Hi Jan and TJ,
Thank you very much for your comments. Yes, I'm going to use
fingerprints, but I was hoping to use UTL_RAW bitwise operation to
handle them (we'll see how this goes).
What worries me that invoking structure matching via PYPL for each
molecule would be slow, do you see any way of
I've implemented a suite of rdkit functions
for postgres using plpython
https://github.com/tjod/rdchord
and the overhead is minimal
since most of the heavy lifting of substructure searching
is done by rdkit.
I think the same would be true of oracle.
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TJ O'Donnell
On Thu, Mar
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