Early in a project, it's important to base selection not just on the "best" compounds identified by probabilistic scoring, but also on a wide chemical diversity. StarDrop's automated compound selection allows R&D directors and project leaders to explore different selection strategies based on chemical diversity, quality or both.
By combining this with chemical space plots, it's possible to explore the impact of different compound selection strategies in silico before carrying out more expensive in vitro and in vivo exploration.
Chemical space
StarDrop's chemical space visualisation gives you an easily understood view relating the properties of your compounds to their structural diversity. Using the chemical space, it's quick and simple to select sets of compounds with a balance of properties while spreading risk across different chemistries.
- Multiple data sets: compare different chemical series and thousands of data points on one plot
- Flexible: create chemical space projections based on structure, properties or a combination of the two
- Easy visualisation: coloir dots according to user-defined scales of property or probabilistic score to narrow down your choices quickly
- Get more detail: see a compound's structure by highlighting the corresponding point on the plot, and click for more detail or further analysis
If you would like to know more about the chemical space and selection algorithms, take a look at the FAQs. You can also try a free trial of our software and, if you have any further questions or would like a full demonstration, contact us.
