Macs in Chemistry

Insanely Great Science

Brood v3.0 released


OpenEye have announced the release of Brood v3.0 a bioisostere replacement program.

  • Custom Fragment Conformations: Fragment geometries can now be derived from any 3D source, including the CSD.
  • Fragment Joining and Cyclization: Finding a fragment to bridge two disconnected molecules or cyclize a molecule is now directly supported.
  • Improved Filter Properties: Property filters can now have both minimum and maximum values.
  • Mapping Fragments to Source Molecules: Molecules BROOD constructs now include the source molecule from which the replacement fragment is derived.
  • Results Navigation: BROOD’s results navigation tool has been redesigned to be more intuitive, giving users an easy way to quickly explore the clustered and aligned analog molecules.

Full details are available in the release notes.

blog comments powered by Disqus