{ "version": "https://jsonfeed.org/version/1.1", "title": "chem-bla-ics", "description": "Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.", "home_page_url": "https://chem-bla-ics.linkedchemistry.info/", "feed_url": "https://chem-bla-ics.linkedchemistry.info/2009/11/19/open-notebook-science-solubility-sparql.json", "icon": "https://chem-bla-ics.linkedchemistry.info/assets/images/chem-bla-ics_logo.png", "language": "en", "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286", "_orcid": "0000-0001-7542-0286" } ], "items": [ { "id": "https://doi.org/10.59350/tezva-0ty37", "url": "https://chem-bla-ics.linkedchemistry.info/2009/11/19/open-notebook-science-solubility-sparql.html", "title": "Open Notebook Science Solubility: the SPARQL end point", "content_html": "

The Open Notebook Science Solubility challenge is an project crowd sourcing solubility\nof organic compounds in non-aqueous solvents. I have been working on RDF-ing this data:

\n\n\n\n

And this resulted in a joint chapter in the nice Beatiful Data book.

\n\n

What I had not done so far, is set up a SPARQL end point for this data, like I did for the\nNMRShiftDB data .

\n\n

Now, however, a Virtuoso-powered SPARQL end point is available, and I hope this\nwill seen get picked up by the other nodes on the ONS Solubility project. It is not a auto-synchronized link, though.

\n\n

Possible advantages include that the client can perform any query and get these results in various formats,\nincluding JSON. For example, follow this link to get all\nsolutes in JSON format.

\n\n

The matching SPARQL looks like:

\n\n
prefix dc: <http://purl.org/dc/elements/1.1/>\nprefix ons: <http://spreadsheet.google.com/plwwufp30hfq0udnEmRD1aQ/onto#>\n\nselect distinct ?s ?title where {\n  ?s a ons:Solute ;\n     dc:title ?title .\n}\n
", "summary": "The Open Notebook Science Solubility challenge is an project crowd sourcing solubility of organic compounds in non-aqueous solvents. I have been working on RDF-ing this data:", "date_published": "2009-11-19T00:00:00+00:00", "date_modified": "2026-05-05T00:00:00+00:00", "tags": ["chemistry","rdf","sparql"], "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ] } ] }