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Scientific Tools & Models

Tools and Models

SRC has been developing automated tools to enhance environmental fate and hazard assessments for nearly 30 years. We have developed a wide range of chemical assessment models and tools in collaboration with the EPA and other government customers, all of which are used daily by our scientists in their evaluations. Our methods for estimating physical and chemical properties and determining chemical structural analogs has significantly reduced contamination of our nation’s air, soil and water, thereby improving both the health of our citizens and the environment.

  • EPI Suite™
    In collaboration with EPA, we developed the EPI Suite software to estimate physical/chemical property, environmental fate and transport information for chemicals. Models in the EPI Suite estimate log octanol-water partition coefficient (Kow), atmospheric oxidation rate, Henry’s Law constant, melting point, boiling point, vapor pressure, water solubility, aerobic and anaerobic biodegradation, soil/sediment sorption coefficient (Koc), bioconcentration/bioaccumulation factor, hydrolysis rate, octanol/air partition coefficient (KOA), volatilization rate from water, fugacity and aquatic toxicity.

    EPI Suite can be downloaded for free at: http://www.epa.gov/opptintr/exposure/pubs/episuite.htm Opens in New Window

  • ECOSAR
    SRC has provided technical support and developed new alogrithms for EPA’s ECOSAR estimation tool. This tool provides relevant acute and chronic endpoints for three surrogate species typically evaluated in an ecological hazard assessment: fish, daphnids, and algae. ECOSAR estimates are derived using Kow values estimated from the EPI Suite software.

    ECOSAR can be downloaded for free at: http://www.epa.gov/oppt/newchems/tools/21ecosar.htmOpens in New Window

  • PBT Profiler
    The PBT Profiler Opens in New Windowpredicts the persistence, bioaccumulation potential and aquatic toxicity of organic compounds using components of EPA’s EPI Suite and ECOSAR software. The Profiler provides a high, moderate and low ranking for each characteristic. Over 300,000 chemicals have been profiled since its release in 2002.

  • AIM
    AIM was developed to aid stakeholders in screening chemicals for pollution prevention opportunities. Noncancer health endpoints are assessed using hazard data on closely related structural analogs when experimental data on the compound of interest are not available. AIM uses a chemical structure fragment comparison method to identify structural analogs that have toxicity data available in the public domain.

    AIM can be downloaded for free at:
    http://aim.epa.gov/ Opens in New Window

  • ChemACE
    ChemACE creates clusters from a user-created list of chemicals. Users can customize restrictive clustering within the tool, which uses uses state-of-the-art techniques, developed by SRC's radar engineers, for performing queries in multi-dimensional space.

    ChemACE can be downloaded for free at:
    http://www.epa.gov/oppt/sf/tools/chemace.htm/ Opens in New Window

  • IEUBK Model for Lead in Children
    The IEUBK model was developed for the EPA Superfund program to predict the risk and derive cleanup goals for hazardous waste sites where lead is a contaminant of concern. The IEUBK model is a predictive tool that incorporates multimedia exposure to lead to derive a distribution of probable blood lead concentrations in children.

    The IEUBK model can be downloaded for free at: http://www.epa.gov/superfund/lead/products.htmOpens in New Window

  • GeoSEM
    GeoSEM is a GIS-based exposure model that provides geospatial exposure concentration estimates to describe the variability and uncertainty in environmental data. GeoSEM may be used to create new maps and derive data sets that are valuable in characterizing patterns and levels of environmental contamination and supporting risk management decisions.

  • Monte Carlo-Based Multi-Media Fate Model
    SRC developed a Monte Carlo-based level III fugacity program for the Great Lakes Commission under the Great Lakes Atmospheric Deposition Program (GLAD). This model can treat half-lives in the environmental compartments and certain physical properties of the chemical as probabilistic input parameters.

    The GLAD multi-media model can be accessed for free at:
    http://glad.syrres.com Opens in New Window

 

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