Nina, Surajit,

> http://ambit.uni-plovdiv.bg:8080/ambit2/dataset
> The formats  (RDF, MOL, SMILES, CSV, arff, CML) can be retrieved via
> specifying the corresponding mime type.
Nice, I admit I am not reading all the posts on this list and you might have answered this already earlier.
Anyway, I gotta ask:

1. Some of the data sets are simply empty, at least the first few in the list. Why?

2. Cross-indexing could be clearly enriched by enabling InChIKeys http://www.iupac.org/inchi/release102final.html
and then using one of the services around for puling more indices and data, e.g.
http://inchis.chemspider.com/
http://cactus.nci.nih.gov/chemical/structure

3. In other words just in-case some structures might need curation I would rather prefer seeing the correct ones pulled from ChemSpider and you just host identifiers and tox endpoints ;-)

4. Finally, are there json data fetching options, too? I guess this is easier for (me) linking multiple sources in a browser, scripting, or wrapper. approach. Again, a universal chemistry ID like InChIKey or ChemSpiderID is much appreciated.

Cheers, Joerg

http://miningdrugs.blogspot.com/
http://www.google.com/profiles/joergkurtwegner