Re: Unambiguously describing molecules... and more

On Fri, Mar 16, 2007 at 08:21:40PM -0400, Leon Lin wrote:
[...]
> Isomers. (see http://en.wikipedia.org/wiki/Isomer) So... basically
> what I'm asking (or thinking about) is how to describe molecules, not
> only by the atoms they contain, but also their structure (the bonds).
> Can you come up with anything better that SMILES (see
> http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html)?
It looks pretty solid to me already. What disadvantages do you see in it
that might need improvement?


> In general, have any of you all included describing graphs (this kind of
> graph: http://en.wikipedia.org/wiki/Graph_%28mathematics%29) in your
> languages. Which traversal method is best?
Depends on the criteria you use to choose between them. "Best" is a
subjective measure.


T

--
First Rule of History: History doesn't repeat itself -- historians
merely repeat each other.

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