[Jmol-users] Re: [Cdk-user] full text extraction from chemistry documents?

[Egon W. <e.w...@sc...>]

On Tuesday 30 August 2005 18:59, Rajarshi Guha wrote:
> On Tue, 2005-08-30 at 12:06 +0200, Egon Willighagen wrote:
> > On Tuesday 30 August 2005 11:48 am, Rajarshi Guha wrote:
> > > If the former then along with the text, if structures could be
> > > converted to SMILES that would be useful. Similarly, reactions could be
> > > converted to a similar format.
> >
> > I don't think indexing SMILES makes much sense, as you don't know which
> > canonicalisation is used, and Kat does not have any structure draw
> > facility anyway... Or am I missing your point?
>
> I was actually considering extracting drawings and converting them to
> SMILES - though I think this would be a very tough thing to do!

Interesting, and though indeed, but outside the scope I had in mind :)

Egon

-- 
e.w...@sc...
PhD student on Molecular Representation in Chemometrics
Radboud University Nijmegen
http://www.cac.science.ru.nl/people/egonw/
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