Archive for the ChemSpider Content Category

Recently we reported on the deposition of our first ChemSpider Database contribution to PubChem to allow everyone to get benefit from our data collection efforts. Today we released enhanced linking between ChemSpider and the originating FDA website. The information available directly at the FDA website for a particular structure includes Patient Information Sheets and Letters Issued to the companies submitting the filing. All available links are shown below for an example record.

FDA links

We are presently adding and indexing a series of new databases to the ChemSpider database. This process can be very CPU intensive and you may notice a decrease in performance of the services and searches. Databases that will be made available on ChemSpider in the next few days include donations by Enamine, Akos, the Human Metabolome Database, Drugbank and the FDA database of drugs discussed elsewhere. When these databases are available online we will post a declaration to this effect.

As users of ChemSpider will know we went live in late March in a beta state. We have received a lot of constructive feedback and for that we thank you! Some of the feedback has come via circuitous routes and we have responded. We commented that we had worked on the multicomponent mass issue and were trying to find enough time and horsepower to recalculate and publish >10 million compound values again. Time and horsepower is an issue!

The work is underway as evidenced by the new values for Calcium Carbonate identified previously as incorrect and as shown below.

Calcium Carbonate New Masses

As of this posting about 2.1 million of the 10.6 million records are recalculated and posted and we expect to finish in the next 72 hours.