[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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