Explore the relationship 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 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.
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
If you would like to know more about the Glowing Molecule, take a look at what other people have been asking in the FAQs.
To find out more about StarDrop and the Glowing Molecule, to arrange an online demonstration or to try StarDrop for yourself, please contact us.