Hi Peter, You can index any binary fingerprint (both sparse and explicit). Also, you can create any custom fp in python and pass it over to postgresql. That said, I have not managed to transfer a sparse one from python to postgres, only the explicit.
Best, Maciek wt., 17 gru 2019, 13:00 użytkownik Peter Schmidtke < peter.schmid...@discngine.com> napisał: > Hi all, > > is it possible to index the reduced graphs fingerprints in the pgsql > cartridge as well? From my understanding the fingerprint provided by rdkit > isn’t exactly in the same format as for standard morgan fingerprints. > Would this work anyhow? if yes with which similarity functions in pgsql? > Anybody ever tried this and has a bit of documentation? > > Thanks in advance > > Peter > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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