MPO Explorer provides you with interactive tools to build and analyse scoring profiles for StarDrop’s Probabilistic Scoring approach. Using a unique ‘rule induction’ method, MPO Explorer’s Profile Builder guides you through the analysis of your experimental or predicted data, to find the underlying rules that best identify compounds that meet your objectives. Based on your expert knowledge of your project’s therapeutic objectives, you can interactively refine these rules, which can then be applied prospectively to find new compounds with a high chance of success.
This analysis also identifies the most important data that distinguish successful compounds for your objectives. This information can then be applied to design optimal compound screening cascades and focus experimental resources
It is important to know if the property criteria you’re using may be artificially distorting your decisions about which compounds to pursue. If a small change in a criterion or its importance would lead you to a different decision, this can highlight new avenues for exploration and avoid missed opportunities. The new Sensitivity Analysis tool instantly flags up these cases and helps you to explore the impact of your project’s strategy.
This peer-reviewed article, published in the Journal of Medicinal Chemistry, describes how identifying sensitive criteria can highlight new avenues for exploration, and assist us in avoiding missed opportunities
Summary In this drug optimisation article, co-authored with Pfizer we discuss new ‘rule induction’ methods. These explore complex data to…
In this example we will illustrate how knowledge-based predictions of toxicity can be used within a MPO environment to guide the selection and design of compounds with a good balance of properties and reduced risk of toxicity.
The MPO Explorer module is available as an optional module for StarDrop. To try StarDrop and the MPO Explorer module, please complete the form and a member of the team will get in touch to understand your needs.