Finding the rules for successful drug optimisation
Summary In this drug optimisation article, co-authored with Pfizer we discuss new ‘rule induction’ methods. These explore complex data to…
Explore relationships between properties and structure
The Glowing Molecule™ visualisation highlights the regions of your compounds which have the greatest influence on predicted properties. This guides the optimisation of compounds with improved properties.
StarDrop’s Glowing Molecule
Advanced non-linear modelling
StarDrop’s Designer guides the re-design of your compounds and enables you to interactively explore the impact of structural changes on your compound’s predicted properties. The Glowing Molecule links the structure-activity relationships captured by advanced, non-linear modelling techniques with the structure of your compound, so that you can easily visualise the regions of your compound having the greatest impact on a property. This aids your interpretation of predictive models to guide the design of improved compounds.
Understand your data
The Glowing Molecule is generated by:
- Models in the ADME QSAR module
- Structural alerts from the Derek Nexus module
- Models of your chemistry built with the Auto-Modeller module
- Scoring profiles based on models that produce Glowing Molecules
Glowing Molecule resources
Matched Series for SAR Analysis
Try Matched Series Analysis in this follow-along tutorial
Redesign to reduce drug toxicity risk
In this demo we look at how it’s possible to use the Derek Nexus module with StarDrop to guide the design of…
StarDrop has a great user interface and provides valuable tools for medchem; it’s the best product for medicinal chemists.
John Lowe, JL3Pharma LLC
Ready to use Glowing Molecule in your projects?
StarDrop’s Glowing Molecule brings model predictions to life, showing you which parts of a molecule are having the biggest impact on its predicted properties. If you’d like to try the Glowing Molecule as part of StarDrop, simply complete the form and the team will be happy to have a chat to understand your needs.
Why StarDrop?
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.