Videos

Automatic Generation of New Compound Ideas

Oct 16, 2013

Automatic Generation of New Compound Ideas

Oct 16, 2013

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.

To try this example yourself, please visit the Tutorials section of the Community. If you don’t have access to StarDrop or the optional modules and would like to arrange a free trial license, please email us at info@optibrium.com

To hear the narration, please increase your speaker volume.