Hello,
I've been benchmarking different softwares for substructure searching of
molecules. From what I can tell, RDKits substructureMatch appears to do the
job. I have been looking around the documentation and this forum for a
description of how it actually works. As I understand it, it does the
calculation from a molecule object that is created from the smile?
How does substructureMatch work? Is it still fingerprint based? How
accurate is it? Is there a description of some standardised term for what
is happening there?
Best,
Axel
------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, SlashDot.org! http://sdm.link/slashdot
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
