April 2015 newsletter

ChEMBL leadlike compounds freely searchable on Blaze demo server

forge_103_sendto_blazeThree new collections of ChEMBL compounds are now available to search on the Blaze demo server. These collections provide leadlike compounds for drug, agrochemical, flavor and fragrance discovery that are suitable for the evaluation of Blaze in these areas. The collections are open to all registered Blaze demo users whether accessed through a web page, KNIME or using Forge, Torch, or TorchLite. Read article.

Rapid and simple Blaze database population and searching using KNIME and Forge

blaze_chembl_upload_blogIn this case study, Giovanna Tedesco describes how a Blaze database of approximately 200,000 compounds from ChEMBL was prepared in a seamless manner using a KNIME workflow and standard Blaze database creation routines. Read case study.

Survey

To ensure we provide the right tools for you now and in the future your input is invaluable. Help drive the future of software development for computational and medicinal chemists by completing this survey. It should take less than 3 minutes to complete. Take survey.

Scaffold hopping into new DPP-IV protease inhibitors

DPP-IVMartin Slater shows how Spark can be used to rapidly generate potentially valuable chemical ideas for new DPP-IV inhibitors. This poster was presented at Proteinase 2015. See poster content.

Register for User Group Meetings

Cresset’s User Group Meetings are primarily designed to address the needs of Cresse’ts software and consulting services users, however, non-users are welcome to attend. By joining us at one of our User Group Meetings, you will:

  • Be first to hear about new product releases, developments and science
  • Learn how other organizations are getting great value from Cresset’s technology
  • Hear about, and influence, the direction of our scientific advancement
  • Help get the most from your investment in Cresset’s technology
  • Interact with industry peers and Cresset’s experts.

June 3rd, Cambridge, MA: North American Meeting See program

June 18th-19th, Cambridge, UK: European Meeting See scientific program and workshops.