Tutorial: Automatic Generation of New Compound Ideas

The objective in this tutorial is to evolve the chemistry around three lead compounds which have good ADME properties but which have insufficient inhibition of the target, the Serotonin transporter. Using Nova and Probabilistic Scoring we look at how we can generate new ideas for compounds to improve the potency while maintaining the balance of other properties.

Duration: 08:37

Video tags: StarDrop Tutorials