ChemSpider Blog

The main way to make your blog structure searchable at present is to include InChIs in your post. But how do you make it substructure searchable? How do you associate analytical data?

I love reading Paul Docherty’s TotallySynthetic.com blog so I took advantage of his Creative Commons license and posted one of his entries here to show what is feasible using our new rich text format support in the description box. Literally it took 2 minutes work…searched the structure by the name Trichodermadide B, validated it against drawing that Paul had on his blog and pasted his blog post onto ChemSPider.

You can see it here in the Description Section…

One thing we are not doing is hosting the comments but the post does point back to the original post here: “From the TotallySynthetic.com Blogpost on Trichodermamide B by Paul Docherty“

We’ve been enhancing our deposition system so that the addition of 10s of thousands of new compounds to ChemSpider doesn’t have too big an impact on the performance of ChemSpider. The deposition of every structure demands the calculation of associated properties and deduplication against the database and needed to be optimized. As a result of our improved processing we are now cleaning up our backlog of new structures, something which is well overdue we know but we didn’t want to overly stress the servers for our users. New data are now on the database from the following companies. There are more to come…

We will shortly be unveiling Open Access article hosting on our website and will be demonstrating our proof of concepts around document markup for the community. A pre-alpha version is show below for our markup of Molbank articles. Click on the thumbnail below to see a simple preview of what we are up to.

There are many ways that we could host Open Access articles on ChemSpider. For the Molbank articles we have loaded the HTML associated with the reaction images etc directly onto our servers and are performing markup as shown in the image. We also have a more general method available to us allowing ChemSpider isers to copy and paste Open Access articles directly onto ChemSpider. Clearly this makes the most sense for articles dedicated to “single structures”. Either the synthesis of a compound or, as in the case of the example shown here, the structure elucidation of a molecule.

This record view represents the chemical structure of Cyclopamine. It includes the leed of the Wikipedia article as well as a complete Open Access article from Chemistry Central pasted into the description box. This certainly tells the complete story of the structure elucidation of Cyclopamine