Online Catalog
A collection of nonclinical studies & assays; customization is possible.

BIOVIA discovery studio (TOPKAT®) extensible

The BIOVIA discovery studio (TOPKAT®) (formerly Accelrys) is a Quantitative Structure Activity Relationship (QSAR) modeling system.

It uses knowledge of a chemical’s molecular structure to calculate physicochemical properties and predict human toxicity and ecotoxicity endpoints; for example, biodegradability and carcinogenicity. 

Modeling makes it possible to identify and filter out potentially toxic candidate compounds at early stages in the development process. It can also be used to support the results of tests that haven’t met good laboratory practice (GLP) requirements. 

Industry Market

Chemical, Crop