Archive for the Uncategorized Category

As a result of a request from a developer at Google tonight we enabled direct searching of the InChIKey through the Google Search Engine. It’s a simple click on the InChIKey to open up a new browser window and display the results.

Caffeine search in Google

Clicking on the InChiKey for caffeine gives three hits already…

Caffeine results

As we unveil new capabilities on the ChemSpider site we clearly perform a lot of our own testing…we ARE the testing team before we push new functionality to the general users. That said, a number of you are very committed to providing us with ongoing feedback and thereby sharing the testing across the community. For this we thank you. When there has been a dedicated effort in any particular month to help “stress-test” new capabilities we like to acknowledge those who help push them…it is to the benefit of all users.

As we announced earlier this week we removed ACD/Labs’ Name to Structure batch as the background processing engine for SMILES and InChI generation and replaced it with the Openbabel open source component. The transition has been seamless and ACD/Labs staff have helped us test the conversion engine this week by pushing many SMILES and InChI strings through the system. In all cases, according to our log files, the conversions worked without fail and as expected. We officially declare this transition tested and thank ACD/Labs for their dedicated support to facilitate the transition.

Watch out for the promised structure deposition next. The development has been published as a beta capability and is presently in the hands of a few selected users for “exercise”. If you are interested in helping to test the Structure Deposition process please contact us at

I’ve been comparing numbers on the ChemSpider News blog (this one) versus the ChemSpider blog. The feedburner stats suggest that there is only some overlap and, it appears, some people don’t know both exist.

The ChemSpider blog is a blog site running in parallel with this one and includes “industry news” as well as some commentary about what is going on at ChemSpider. this is simply a general posting to remind the News Readers of the other site that runs in parallel.

And why are they not all merged into one you might ask? This News site focuses only on new capabilities introduced to the site as they are delivered, +/- a couple of days. For an example, see the next posting…. New Functionality for Mass Spectrometrists

This blog has been set up to allow us to interact with you, the ChemSpider user community. Previously we have posted our New Release features online and we will likely continue to do so. With time the majority of our New Release information will be posted here at this blog as people become more familiar with this format.

ChemSpider News is a partner to the original blog and that one will remain focused on ChemSpider vision and politics, related science and about how the system works. ChemSpider News will be about the nitty-gritty of changes to the functions and capabilities, operating environment and questions for you to help provide guidance about how you would like to see ChemSpider work. This will even be down to the level of how you might want to see a particular function enabled as well as testing features at the alpha and beta release stages.

We encourage your participation…no question is too small, criticism will be assumed to be constructive. Please help us make ChemSpider the service that you would like it to be!