Copyright©2010 Antony Williams
We’ve been depositing a lot of new data into ChemSpider over the past few weeks. We’ve been adding millions of new compounds from chemical vendors, from RSC databases and articles, from updated government databases, contributions from academia and from some of the online Open resources.
Recently I sat in on the presentation of Rich Apodaca who talked about ChemPedia. Rich shares a lot of the views that many of us do about the value of having open resources of chemical compounds online and has contributed ChemPedia to the domain. On Slide 20 of his presentation Rich gave an overview of a Missing Service that needed to provide a number of capabilities. These were an on-demand unique ID, expose a URL to link to the structure, support synonyms and integrate peer review. ChemSpider does all this with maybe one caveat…we expect the ID to include the URL….so http://www.chemspider.com/Chemical-Structure.2034.html or http://www.chemspider.com/2034 is the link to the structure that we assert is the structure of Xanax. If you want to add additional synonyms you can do so. If you want to curate, add comments etc you can (peer-review). If you want to add new compounds you can and you are issued a new ChemSpider ID. I would agree that our IDs are not as distinct as those that Rich and ChemPedia are generating..but they are of a similar format to PubChem IDs..i.e. “just numbers”. Check out ChemPedia and contribute! We are taking advantage of the fact that Rich makes the data Open for download and download the last iteration (664 compounds) and deposited them to ChemSpider here.