November 2019 newsletter
Flare V3 release features fully validated and accessible FEP calculations and new workflows We are delighted to announce the release of Flare V3 ...
Three 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.
In 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.
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.
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:
June 3rd, Cambridge, MA: North American Meeting
June 18th-19th, Cambridge, UK: European Meeting