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StarDrop enables you to predict a broad range of ADME and physicochemical properties prior to synthesis using a suite of high-quality in silico ADME QSAR models. 

 

LogP    Cytochrome P450 2D6 affinity
 LogD7.4    Cytochrome P450 2C9 affinity
 Aqueous solubility    P-gp transport
 Human intestinal absorption    hERG inhibition
 CNS (blood-brain barrier) penetration    Plasma protein binding


Features of the ADME QSAR models include:


 All models require only the chemical structure as input. Compound properties can be predicted to identify optimal chemistries before committing to expensive synthesis and testing 

Every model is rigorously validated using an independent test set to ensure high predictive capability 

Each prediction is accompanied by an estimate of the confidence in that prediction, enabling uncertainties to be explicitly considered 

Every model is accompanied by a measure of its applicable chemical space. Predictions for molecules outside of the chemical space, where confidence is lower, are explicitly identified

 

StarDrop also provides a number of whole molecule properties to help guide your compound design:

 

 Molecular weight
 Hydrogen bond donors
 Hydrogen bond acceptors
 Topological polar surface area
Flexibility

 

In addition, StarDrop can be interfaced with your own in-house models to enable you to have access to all the data necessary for your compound design and prioritization process.

 

Download our Fequently Asked Questions document for further information about the ADME QSAR models.

 

StarDrop™, Glowing Molecule™ and Auto-Modeler™ are trademarks of Galapagos NV and/or its affiliates

 




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