I’ve spent a day and a half at Nijmegen, and have given a presentation on Semantic Science. Since much of the course is hands on, I’ve put together 3 simple web-based examples:
- Find a recent synthetic chemistry paper (anywhere – but you’ll need a subscription as no chemist would publish Open Access, would they?) and use OSCAR (Experimental Data Checker, http://www.rsc.org/Publishing/Journals/guidelines/AuthorGuidelines/AuthoringTools/ExperimentalDataChecker/GetEDC.asp ) to see whether there are any errors in the reported analytical data for the compounds
- In the same paper [@EN only] see how well (or not) chemical tagger (http://chemicaltagger.ch.cam.ac.uk/ ) interprets the components of the reactions.
- Choose two elements and use Crystaleye (http://wwmm.ch.cam.ac.uk/crystaleye/bondlengths/index.html ) to find the longest and the shortest bonds between them in published crystal structures. Use “after protocol” as this will give the most reliable structures.
- UPDATE: Try some chemical names in http://opsin.ch.cam.ac.uk
- Run chemicaltagger on abstracts from EGU’s Atmospheric Chemistry and Physics to pick up geo-locations.
- Run Quixote (http://quixote.ch.cam.ac.uk ) to find structures of benzene calculated at different levels of theory (use the SMILES search c1ccccc1)
And many thanks for a great time here!