Biomedical Engineering Reference
In-Depth Information
Examples of ChemDraw molecules which are not
converted correctly to MOL fi les by OpenBabel
Figure 3.5
some extra effort, it may be possible to extract embedded ChemDraw fi le
objects from Microsoft Word fi les and digest them, and this may allow
even more structures to be identifi ed, even when authors do not send
ChemDraw fi les. However, rather than simply using the various checks
on molecules to fi lter out and omit problem structures automatically, it
would be more useful to be able to feed these warnings back to the
authors to give them the opportunity to revise their ChemDraw fi les and
images, so that they could be used as intended. For this reason, another
long-term aim of the ChemDraw Digester is for it to be made available as
part of the ChemSpider web site as an author tool. If this were possible
then authors could upload their own ChemDraw fi les when writing their
articles, and view the Review web page (as in Figure 3.4) and see a clear
indicator of whether the structures drawn in their fi gures do indeed
adequately defi ne the molecules to which they are referring, and if not
what issues need to be fi xed. Poorly drawn structures are more common
than one would expect in academic papers so the ability to raise the
standard of chemistry in RSC articles would benefi t both authors and
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