Environmental Chemistry and Toxicology

This paper describes the use of a centralized data management system that allows manufacturing organizations to effectively manage regulatory compliance. The Accelrys Environmental Chemistry and Toxicology (ECT) Solution is a customizable “scientifically-aware” platform to streamline monitoring, analysis, and reporting of chemical by-products for the purposes of regulatory compliance. This scientifically-aware solution inherently allows for QSAR analysis, chemical similarity searching, and other read-across techniques to maximize the value of all data. The scientific platform can easily be configured to automatically predict biodegradation products, physical properties, ADME and Toxicology properties, and many other descriptors.
The solution can also be configured to automatically compare any of these properties to codified business rules, specific for each facility. These, and many other capabilities can automatically be presented on interactive dashboards or on REACH, MSDS or other formal documentation.