Building a QSAR Model

In this demo we use the Auto-Modeller to build a QSAR model of some measured data for target affinity. Using this new model we guide the design of a new compound using probabilistic scoring to consider the relative importance of potency alongside ADME properties and then the Glowing Molecule to help modify the existing compound to improve its overall balance of properties.

Duration: 06:11

Video tags: StarDrop Modules and Features