I placed this question in StackOverflow and now I'm reposting it here since I just learned from this site. I am a cell biologist (postdoc) and amateur programming, looking to build an app for our students. As such, my knowledge of bioinformatics tools is limited.
I'm building a database of chemical compounds. I need all the synonyms (IUPAC and common names) as well as safety data for each.
I'll be using the freely available data at PubChem (http://pubchem.ncbi.nlm.nih.gov/)
There's an easy way of querying each compound with simple HTTP gets. For example, to obtain glycerol data, the URL is:
And the following URL would return an easy to parse format:
but it will respond only very basic info, lacking safety data and only a few common names.
Unfortunately, this API is not very well documented and it's quite difficult to follow due to the complexity of the data involved. For what I gathered, pubchemdb is using the PubChem Power User Gateway (PUG) XML API
Has anyone used this API (or any other one available)? I would appreciate a short description or tutorial on how to start with it.