PickR™: Diverse R-groups for Library Design
Introduction to PickR, a command line monomer selection tool for library design. See how PickR will efficiently select the best sub-set of monomers based on electrostatic and shape diversity in ...
Installing Flare™ Python extensions on Windows®
Flare features an API that enables its functionality to be extended with Python scripts. See how to install Python extensions for Flare on Windows.
Displaying Electrostatic Complementarity™ surfaces and calculating EC scores
See how you can use Flare™ to plot Electrostatic Complementarity (EC) maps for proteins and ligands, and calculate EC scores for protein ligand complexes.
Building regression models in Forge™ V10.6
New Machine Learning methods in Forge significantly expand the range of available QSAR model building options, giving you more opportunities to build a predictive model useful in project work. See ...