Hi,
I've been doing speed comparisons of SMARTS matching calculations between
Daylight (dt_match) and the latest release of the RDKit (SubstructMatch). A
matrix of 4015 SMILES matched against 1390 SMARTS took 187 s in DL, while it
took 1615 s in the RDKit program. Maybe this is an area of improvement of the
RDKit.
Thanks,
Gonzalo
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