[OTDev] [IMPT] RDF for QPRF/QMRF reports
Egon Willighagen egon.willighagen at gmail.comThu Jul 15 19:41:38 CEST 2010
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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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