publication date: Aug 20, 2015
|
author/source: Cresset BioMolecular Discovery Ltd
Cresset, innovative provider of software and services for small molecule discovery and design, announces the release of the new Spark CSD Fragment Database derived from the Cambridge Crystallographic Data Centre’s (CCDC) Cambridge Structural Database (CSD).
“Spark replaces fragments of molecules with biologically equivalent alternatives,” explains Dr Robert Scoffin at Cresset. “It is ideal for scaffold hopping, moving to clear IP, replacing R-groups and growing or linking fragments. This new database of fragments from the CSD means that Spark’s results contain chemical replacements that have experimentally validated chemistry and known conformations. This gives them a higher chance of a smooth synthetic route and better likelihood of being a valid bioactive conformation.”
“The CSD is the world’s most comprehensive database of expert-curated 3D small-molecule organic and metal-organic crystal structures, containing the results of over ¾ million X-ray and neutron analyses,” commented Colin Groom, Executive Director of the CCDC. “The new Spark CSD Fragment Database further extends the ways in which researchers can use this wealth of crystallographic data to address a wide range of scientific problems.”
more about cresset
more news from cresset
Subscribe to any of our newsletters for the latest on new laboratory products, industry news, case studies and much more!
Request your free copies HERE
Popular this Month
Top 10 most popular articles this month
Today's Picks
Looking for a Supplier?
Search by company or by product
Please note Lab Bulletin does not sell, supply any of the products featured on this website. If you have an enquiry, please use the contact form below the article or company profile and we will send your request to the supplier so that they can contact you directly.
Lab Bulletin is published by newleaf marketing communications ltd.