Check out this miniWebinar "New Science and Features – 2022.2 Orion Suites and Modules" presented by Jesper Sørensen, PhD, Head of Biomodeling at OpenEye Scientific. This was originally presented on July 28th, 2022.
In this miniWebinar, Dr. Sørensen shares details of our latest Floes release 2022.2. In this release, we have made updates to all floe packages for improved usability and new scientific features.
Highlights from the presentation include new Floe packages that allow you to:
- Build and train machine learning models
- Better select for diversity in hits
- Create a fragment database for BROOD using CHOMP
- Enumerate pKa-states for small molecules
- Run improved floe reports for NES edge maps