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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