The following movies demonstrate some of StarDrop's features
Automatic generation of new chemistry ideas
In this demo we take a look at how StarDrop's Nova plug-in module can be used to generate new compound ideas. Starting with three lead compounds you can see how it is possible to generate new ideas which are optimised to have a good balance of both target affinity and ADME properties. For an eample of how the target affinity model was created, take a look at the "Building a QSAR model" demonstration below.
Compound prioritisation and selection
In this demo we're going to take a look at how StarDrop can guide the prioritisation and selections of compounds using a combination of in vitro and in silico data. Using StarDrop's probabilistic scoring, visualisation and selection tools you can see how we can select a diverse set of compounds with balanced properties and visualise this within a chemical space visualisation. The predictive models used in this demo are part of the ADME QSAR module.
Redesign to resolve metabolic liabilities
In this demo we look at how it's possible to use the StarDrop P450 metabolism models to guide the design of new analogues around a compound with known metabolic liabilities.
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.
To find out more about StarDrop, to arrange a live online demonstration or to try StarDrop for yourself, please contact us.
