[OTDev] [IMPT] RDF for QPRF/QMRF reports

Egon Willighagen egon.willighagen at gmail.com
Thu Jul 15 19:41:38 CEST 2010


On Thu, Jul 15, 2010 at 6:34 PM, Vedrin Jeliazkov
<vedrin.jeliazkov at gmail.com> wrote:
> Introducing printer-friendly & fancy images has some pros and cons:
>
> + could improve the overall design, look and feel of the (printed) report;
> - opens the door for data inconsistencies (e.g. a fancy image which
> does not correspond to the chemical representation of the compound --
> SMILEs, InChI or whatever -- would be rather useless and could result
> in further errors, made by the person, using this report);

This could be addressed by putting the InChI and/or CML in the PNG image itself:

http://chem-bla-ics.blogspot.com/2007/08/molecular-connectivity-tables-in-images.html
http://neksa.blogspot.com/2007/08/strigi-now-extracts-chemical.html

This basically hard-codes what the PNG is about.

Egon

-- 
Post-doc @ Uppsala University
Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg
Homepage: http://egonw.github.com/
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers



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