[Zinc-fans] Comparison mol2 and smiles files

emanuele emanuele at chemiome.chm.unipg.it
Mon Nov 26 00:48:23 PST 2007


Dear all ZINC-fans,

I downloaded the databases Asinex and Sigma-aldrich from the version 7 
of ZINC in both the formats SMILES and MOL2.  For both the databases I 
found a difference in the molecules present in the archives, that means 
some molecules present in the multi-mol2 file and not in the SMILES and 
vice versa.

Is it possible or I did some errors in the comparison?

Thanks in advance

Regards,

Emanuele


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