ARChem is now available with a demo version of CrossFire Beilstein reaction database
Here at SimBioSys we have been working on our ARChem retrosynthetic analysis system for about three years. It is already deployed and a publication is about to be submitted for peer-review. Derived from our work on synthetic feasibility that produced our CAESA product ARChem is the result of a collaboration from medicinal chemists in large pharma, the chemical knowledge of Prof. Peter Johnson from Leeds University in the UK, our technical team here in Toronto and the availability of a number of reaction databases used in order to perform clustering of the reactions for the most appropriate retrosynthetic analysis work. You will hear a lot about ARChem in the coming few weeks as I discuss how the system works, can be used and its successes and, of course, its issues as a piece of software.
For now I am happy to announce to interested users that in addition to Accelrys reaction databases we have newly received a demo of the CrossFire Beilstein reaction database from Elsevier. We have now sourced a 1million sub-set of CrossFire Beilstein and these new reactions were clustered to enhance the performance of ARChem. If you are interested in seeing the system and will be attending the 8th International Conference on Chemical Structures, in the Netherlands, next week (June 1-5) then please visit us at the Keymodule booth during the conference or visit our web-site and request a demo account for the online version of ARChem that you can test. Let me know.
posted by Aniko