[Kalzium] Wikipedia and Blue Obelisk

[Carsten Niehaus]

Moin

In CC Kalzium's mailinglist with Jörg Buchwald. Jörg, please read this mail :-)

> now so it's easy to transfer information between us.  Being an organic 
> chemist myself, I want to see chemical structures carrying chemical 
> metadata (instead of being flat GIF files) or at least a tag (perhaps the 
> InChI?), but we need a standard format for how that's done - maybe what's 
> planned at http://wwmm-svc.ch.cam.ac.uk/wwmm/html/    Do you use something
> like that in your database of 230 compounds?  

Our 200+ compounds are generated from SMILES, then processed by Monte Carlo, then started in either .cml or .mol. AFAIK mol can be transfered to cml and vice versa.

> If we can agree on formats 
> for data, we can hopefully transfer data between us much more easily.   I 
> have contacts now with some chemical publishers, and might be able to 
> persuade them to use the same format.  Then we're really rolling!

I guess cml2 would be a good choice, right?

> BTW, I know that the WikiProject Isotopes group added in a huge amount of 
> isotopic data into the English Wikipedia, for example see
> http://en.wikipedia.org/wiki/Isotopes_of_samarium  The references are
> given 
> at the bottom of each page.  Would these data be usable at BO? User:Femto 
> has done a lot of work with the elements pages.

Jörg, could you comment on this?

Carsten
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