Hi,
Stefan Kuhn <[EMAIL PROTECTED]> wrote:
> > Ok, that makes the sql a lot easier than the fingerprints. Is that good
> > enough to use smiles for duplicate checking? are you aure to find them
all?
> Given the smiles implemenatation is not buggy it should work for identity
> search (and therefore for duplicate checking). Substructure search is a
Judging from my own experience, using SMILES for identity search seems simple,
but could be a bit tricky. One have to decide to use stereo SMILES at least
for some compounds if not for all, otherwise there will be inconsistencies.
Regards,
Nina
> different thing.
> Stefan
>
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