Copyright©2007 Antony Williams
One month ago today I put online a “General Overview of ChemSpider” presentation for everyone to review (of course it’s already well out of date). There were some interesting comments to that blog posting in terms of whether we would be making available a web API. As part of a collaboration we are presently developing a series of web services (more news about that soon). As part of this general direction and because of the recent interest in InChI (1,2) we decided to expose a series of web services built on a combination of OpenBabel and the InChI components.
On ChemSpider we have indexed over 17 million chemical compounds and have associated InChI strings and InChIKeys. The services include the ability to search for the Appropriate ChemSpider ID based on the InChI string and InChIKey. This is our first effort to offer programmatical access to ChemSpider and provide web services to the community. We might have missed some services with the InChI exposure here that you have interest in. Let us know. Also, since we are exposing other services right now if you have specific requests please let us know proactively!Stumble it!