The German Chemical Society (GDCh) highlights chemical diaries, namely web-logs or just blogs. The following blogs are highlighted by an article of O. Sacher (former member of Prof. Gasteigers group, now Molecular Networks). BTW, I did my master in this group.
- Blue Obelisk blogs, which are now collected at chemical blogspace, especially the blogs of
- Peter Murray-Rust - A scientist and the web
- Egon Willighagen - chem-bla-ics
- Joerg Kurt Wegner - Mining Drug Space (this blog)
- David Bradley - Sciencebase
- Molecule of the day
- Paul Docherty - Totallysynthetic
- Jean-Claude Bradley - Useful Chemistry
According to the author good blogs show the following criterias and there is still a problem
- regular postings
- many good and/or critical comments
- strong headlines
One disadvantage of chemical blogs containing structures, reactions, or spectras is that the original information is lost, means the raw data. This restriction is already discussed in the blogosphere and will be hopefully solved soon.
Again, that brings us back to the same mining problem, which was, is and will be indeed heavily discussed by Jean-Claude, Joerg (once, twice, trifold), Rich, Peter (once, twice), Egon (once, twice), Christoph. And as I already commented on Peters site is the easiest to submit the 'raw' data to the blue obelisk data repository (BODR), NMRShiftDB, ChemSpider (if submission will be activated), or other recent services out there.
References
- O. Sacher, "Eintrag ins Logbuch der Chemie, Sternzeit, ...", Nachrichten aus der Chemie, 6, 2007, 650-652. URL
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4 comments:
Hi Joerg! Sounds like an excellent read! Might you send a copy of the article?
Thanks for mentioning that UsefulChem made the list!
As you note, ChemSpider could be very useful once structure submission has been activated. I'm working with Tony on this and I think it will be available shortly.
Egon,
I have the article only on paper and will see what I can do.
Joerg
Joerg...the non-availability of structure submission on ChemSpider is very disappointing to our team. It is one part we really want to get going. However, we've been distracted by lot of incoming data (literally millions of structures), some "custom development" for some of our users to help address workflow issues in the interface as well as adding a new server to minimize impact to the users when we are adding new data, predicting properties and re-indexing the database. What we noticed, as expected, was a significant hit on performance when "playing" with 15 million structures.
I've designed some basic submission screens for users and bounced them off of JC Bradley already. We hope to implement submission in the very near future...it's a very exciting part of the development of ChemSpider for us.
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