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The Environmental Fate Simulator: A tool for predicting the degradation pathways of organic chemicals in groundwater aquifers
Citation:
Weber, E. The Environmental Fate Simulator: A tool for predicting the degradation pathways of organic chemicals in groundwater aquifers. Presented at Organic Chemistry and Toxicity of Contaminants in the Ground, London, UK, February 13, 2014.
Impact/Purpose:
invited presentation to the Organic Chemistry and toxicity of contaminants in the Ground
Description:
Development of the Environmental Fate Simulator (EFS): • High throughput computational system for providing molecular and environmental descriptors for consumption by EF&T models Requires: Knowledge of the process science controlling chemical fate and transport The ability to encode this information into a readable format Integration of existing cheminformatics applications and modeling software technologies
