Shen BBB models
Blood-brain barrier (BBB) penetration is a measure of the ratio between the compound concentration in brain and blood. Good BBB…
Caco-2 Model
Accelerate drug development with Caco-2 Model. Predict intestinal permeability for better absorption. Download now for improved pharmacokinetic predictions.
What do the Glowing Molecule colours mean?
A Glowing Molecule represents the model result indicating the parts of the molecule that have the greatest influence on the…
Does your model-building workflow detect outliers?
Auto-Modeller doesn’t currently detect outliers when building models, it is dependent on a user’s own judgement. The Gaussian Processes methods…
What papers are available for published by StarDrop users and included the results of Auto-modeller?
We have published several papers using the methods in the Auto-Modeller. They are: In most cases, our users apply the…
Where can I get the list of descriptors calculated by StarDrop?
A list and description of the descriptors used by the Auto-Modeller is available in Appendix 17.2 of the StarDrop Reference…
How can I calculate descriptors using Auto-Modeller?
To calculate descriptors on the current data set, click the Calculate descriptors on the current dataset button within the Auto-Modeller…
Can I find rate of metabolism using the Metabolism module?
Quantitative prediction of metabolic rate for diverse chemistry is currently intractable based on structure alone. Local models of metabolic rate…
How do I build a model based on my data?
In addition to the StarDrop Models, it is possible to create your own models from your data with the Auto-Modeller…
Shen HIA models
Access Shen HIA Models for robust predictions of human intestinal absorption. Improve drug development. Download now for enhanced bioavailability insights.
HLM stability models
StarDrop™ HLM Stability Models are courtesy of Alexey Zakharov of the National Cancer Institute, National Institutes of Health, who has developed models of stability in Human liver Microsomes (HLM)
Is there a way to restart and clear the queue of jobs submitted by the Auto-modeller?
Please check with your internal I.T. team with admin access to the server. For the Ubuntu and legacy servers, they…