Develop multi-parameter optimisation strategies
Use innovative, new methods to explore your complex data to find interpretable, multi-parameter scoring profiles, tailored to identify compounds for your drug discovery objective. The resulting scoring profiles will help you to quickly target compounds with a higher chance of success.
This module, based on innovative patented methods (US Patent Nos. 9,224,098 and 9,367,812), helps to guide ‘strategic’ decisions in your drug discovery projects. MPO Explorer guides the development and validation of multi-parameter scoring profiles, tailored towards selecting successful compounds for your own project objectives:
- Find multi-parameter scoring profiles for your project objectives, based on historic data, to optimally select successful compounds
- Identify the most important data with which to distinguish successful compounds and focus experimental resources
- Test the robustness of your decisions to the selection criteria you have chosen
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.
With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modelling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process.
The MPO Explorer module is available as an optional module for StarDrop. To trial StarDrop and the MPO Explorer module, please complete the form and a member of the team will get in touch to understand your needs and get you set-up with a licence that works best for you.