Tsar

QSAR package for library design and lead optimization

Tsar is a fully integrated quantitative structure-activity relationship (QSAR) package for library design and lead optimization that helps you attain information to guide decision throughout the drug discovery process, from compound selection to reagent selection and library creation.

You can use Tsar's easy-to-use chemical spreadsheet interface to:

• Explore 2D of 3D physicochemical properties to analyze which promote activity

• Select reagents by sampling substituent or reagent properties
• Design combinatorial libraries by focusing on desired product properties
• Identify similar or diverse subsets of compounds
• Develop predictive models of activity

 

Tsar Add-Ons for Extended QSAR Functionality

Add-on modules for Tsar aid in drug discovery by letting you perform:

• 3D database and library searches by converting 2D structures to 3D (Corina add-on)
• Molecular similarity calculations (Asp add-on)
• Semi-empirical quantum mechanical calculations (Vamp add-on)
• Pipeline calculations on very large numbers of structures (Tsar Batch)