Markus also spelled out for you different variations for context in the
same exchange.
Do different tautomers represent different chemicals or the same one?
Do face recognition identifiers even approach the accuracy of InChI
identifiers?
If you still insist that there could be only one singular definition of
"unique" in the universe then I am afraid
this definition has no meaning and you are alone...ehm... unique.. in using
it.
Igor
On Thu, Feb 19, 2015 at 2:09 PM, Dimitri Maziuk <[email protected]>
wrote:
> On 02/19/2015 12:29 PM, Igor Filippov wrote:
> >> No. there's only one definition if unique
> > This is way too simplistic. The definition of "unique" depends on the
> > application.
>
> There is a context to this thread. The application was spelled out in
> Markus and Greg's
>
> >> Well, at least you said something important: "conversion of InChI to
> >> molecules is something that's not in general guaranteed to work
> >> perfectly" - and this is by design like this because InChI is an
> >> identifier, not a molecule representation. Unfortunately, many people
> >> seemed to forget about this :-)
> >>
> > Yes, yes they do.
>
> Persons' faces and other disciplines have nothing to do with it.
>
> (Note, however, the face recognition people actually get "simplistic
> integer numbers" so their unique keys tend to be based on well-defined
> metrics and factor in isometries and other fun math stuff. Unlike IUPAC
> and InChI.)
>
> --
> Dimitri Maziuk
> Programmer/sysadmin
> BioMagResBank, UW-Madison -- http://www.bmrb.wisc.edu
>
>
>
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