StarDrop Modules

ADME QSAR

High quality predictive QSAR models of key ADME properties

Before committing resources to in vivo and in vitro studies, it’s vital to know you’re working with the best molecules. StarDrop is built to help you predict a wide range of ADME and physicochemical properties in silico, allowing you to explore all your options and giving you confidence in your decisions – and all with an intuitive, interactive graphical interface.

High-quality models

This module enables you to predict a broad range of ADME and physicochemical properties using a suite of high-quality QSAR models including:

  • Human Intestinal Absorption
  • CNS (Blood-Brain Barrier) Penetration
  • Cytochrome P450 Affinities
    – CYP2C9
    – CYP2D6
  • P-gp Transport
  • hERG
  • Plasma Protein Binding

Model validation

Independent test sets are used to validate every model.

Prediction confidence

Every prediction is accompanied by an estimate of confidence, helping you to fully consider uncertainties.

Chemical space

The applicable chemical space is captured for each model. Molecules outside this space – where confidence in the predictions are lower – are clearly identified.

Integration

StarDrop interfaces with in-house models to supplement or replace StarDrop’s optional models. StarDrop models can also be run from other informatics platforms.

Glowing Molecule

The StarDrop ADME QSAR models provide Glowing Molecule results.

Optional StarDrop Module

The predictive ADME QSAR models are available as an optional module for StarDrop. To find out more about StarDrop and the ADME QSAR models, to arrange an online demonstration or to try StarDrop for yourself, please contact us.

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
  • Rotatable bonds
INTERESTED?

Try 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.

Other StarDrop™ Modules