Designing molecules using electrostatics and shape helps eliminate those that are unlikely to be active.
Torch makes it easy to focus on designs that work in 3D. Multi-parametric scoring helps you prioritise compounds with the optimum balance of physico-chemical properties.
Exploring SAR, and activity cliffs using the Activity Miner component, enables you to understand your project data and design the best next molecule for synthesis.
Use Torch to:
- Use electrostatics and shape to assess the biological impact of chemical changes
- Design new molecules with the best balance of properties for your project
- Efficiently communicate your ideas and results
- Study SAR using plots and histograms interactively linked to the 3D structure of your molecules
- Rapidly navigate complex SAR, highlighting key activity changes with the Activity Miner component
- Use powerful predictive QSAR models from Forge.
Torch is available on Windows®, Os X® and Linux®. It can be accessed as desktop applications and command lines.
, illustrated below, is an optional module for Torch that helps you find and understand critical regions in complex SAR, highlighting key activity changes.