Archive for March, 2012

For some time now it has been possible to access relevant SureChem patent information from a ChemSpider compound page in the Patents Infobox. ChemSpider compounds are also linked to and from the relevant RSC articles, which has allowed us to form a new partnership between RSC Publishing and SureChem which relies on ChemSpider taking the pivotal role of linking internet chemistry together.

In the RSC article landing pages there is a “Compounds” tab which shows the key compounds that the article is about – as shown in this example. For each compound there is now a link to view the SureChem patent information associated with that compound as below:

The RSC Publishing platform article landing page showing SureChem patent information

The RSC Publishing platform article landing page showing SureChem patent information

SureChem and SureChem’s new free offering, SureChemOpen, offer a suite of patent chemistry data solutions, for example allowing their patents to be found from a structure or substructure search. Now, for each compound returned from such a search it is possible to view any linked ChemSpider compound pages and the number of associated RSC publications (and follow a link to view these articles).

This linking between SureChem and the RSC publication platform relies on ChemSpider (and the standard InChI chemical identifier) providing a bridging link to both, which ensures that the system is accessible, standards-based and scalable, making it easy for future partners to join.

A lot happens in a a few weeks and this past couple of months has been no different. There have been numerous developments for ChemSpider and its related projects including working on the GUI, adding in new data and a lot of infrastructure work on the core of the ChemSPider platform.

We have the ACS meeting in San Diego just around the corner and are presently working hard this week to publish our most recent update to the live servers. For those of you going to San Diego do come and visit us at the RSC booth and we will give you a demo of our most recent project that we have been working on…I’m not going to announce it before the ACS but I encourage any attendees to stop by and hear what we’re up to!

There will be a number of presentations at the meeting and the details are all listed in our online Newsletter.

Alex Tropsha (UNC-Chapel Hill) and I (Antony Williams) will be hosting an InChI Symposium at the meeting so please come along and hear how people are using InChI and some of the directions for the future!

See you in San Diego hopefully!

As the ChemSpider content and data mappings have continued to expand, the demands on our web services have increased dramatically. With the popularity of the site continuing to increase we anticipate even heavier usage of our web services. This is true for our involvement with the Open PHACTS project as well as from a number of software packages served up by analytical instrument vendors, especially in the mass spectrometry domain. Because of the increasing load on our systems, we have taken steps to prevent us from outgrowing our existing infrastructure and have implemented a new scalable, future-proof web services offering that your applications can rely upon.

Continual availability and business continuity for subscribers and academics

We have reinvented our web service infrastructure using Microsoft SQL Server replication technology in order to maintain multiple copies of the ChemSpider database. As a result all system resources are dedicated purely to web services with no background tasks running to affect the performance. Also, the databases are read-only which results in database lock contention being completely eliminated.

A standalone and scalable web service establishment for faster response times

The ChemSpider servers run on the VMWare virtualization platform which allows us to scale out the hardware by assigning more resources as required. In the future we can easily provide a consistently high-performance service even as usage further increases.

Over 1/4 million calls in the first 18 hours

Although ChemSpider web services are fast becoming a priority for us, we are still dedicated to ensuring the website experience is optimal. The changes we have implemented will reduce traffic to the website so you should already have noticed improvements in website performance and reliability.

Some examples of implementations of ChemSpider web service usage can be found here.

Access to the ChemSpider API is free to academic users; for commercial use please contact us at chemspider-at-rsc.org.