On Tue, Nov 9, 2010 at 1:30 PM, Nina Jeliazkova
<jeliazkova.n...@gmail.com> wrote:
> Still ChemSpider searching seems to be only one to cope with incomplete
> InChI - is it possible with (any) InChI library to achieve something
> similar - e.g. extract only a skeleton from available InChI layers ?
If you get a parsing error, you could consider stripping away the last
defined layer:
inchi = inchi.substring(0, inchi.lastIndexof("//"))
?
I could also suggest asking on the Blue Obelisk eXchange [0].
Egon
0.http://blueobelisk.shapado.com/
--
Dr E.L. Willighagen
Postdoctoral Research Associate
University of Cambridge
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
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