The ChemSpider Website has been updated.
ChemSpider is a free chemical structure database providing fast text and structure search access to over 34 million structures from hundreds of data sources.
ChemSpider Mobile has been updated.
Version 2 has a completely redesigned user interface, with powerful new functionality for previewing search results, saving compounds, and exporting to other apps and webservices. The new look incorporates the latest graphical art from the Royal Society of Chemistry, and the style conventions of iOS 7.
I just noticed that ChemSpider has just passed 30,000,000 records, the molecule registered to mark this impressive milestone is shown below.
ChemSpider is a free chemical structure database that brings together structures, properties, sources and publications. ChemSpider enables researchers to discover the most comprehensive view of freely available chemical data from a single online search. It is owned by the Royal Society of Chemistry.
There is a Safari extension that uses ChemSpider for depiction of chemical structures.
There was an interesting entry on the ChemSpider blog this week, apparently they are starting to capture spectral information
The RSC now encourages authors for several of our journals to supply extra information, structures and spectra in their original file formats – which are attached to the article as supplementary information. Already we’ve seen several submissions of data that we have incorporated into ChemSpider records, both enriching the ChemSpider database and also showcasing the research of these authors through their publications. In this way, the RSC hopes to encourage the addition of reusable data files to the research paper as the start of its efforts to promote increased data sharing within chemical science research. In a few short weeks we’ve received a number of submissions from authors that include key chemical structures as mol files and in some cases extra data including 1H and 13C NMR spectra as well as UV and IR spectra.
Once you have done that you can see the spectra displayed using a Java applet.
Those who follow the ChemSpider Blog may have noticed that there have been a number of enhancements to ChemSpider. Details are covered in three blog posts the first cover autocompletion and combined structure and property searches, the second covers searching the supplementary information and the final post describes combining searches and then using spectral information to identify a reaction product.