Life cycle impacts and environmental fate of pharmaceuticals: Benign by design

Predictive tools

A selection of tools that have been developed to provide guidance in predicting the environmental performance of chemicals are listed below. Some are collections or suites of publically available tools. The tools listed below are representative and not a comprehensive list of what is available.

ECOSAR

The Ecological Structure Activity Relationships (ECOSAR) class program is a predictive software program system that estimates aquatic toxicity.

EPA Sustainable Futures

A suite of links to free tools and training materials

Estimation Program Interface (EPI) Suite

The EPI (Estimation Programs Interface) Suite™ is a suite of physical/chemical property and environmental fate estimation programs – basically a single interface to a wide range of publically available tools.

PBT Profiler

OECD QSAR Toolbox

ETH Biocatalysis / biodegradation database

Predicts biotic (aerobic and anaerobic) decompostion pathways.

Of course, many commercial modelling packages can also be accessed if desired. It is also important to note that the molecule tested should fall within the applicability domain of the model used.