Title Page

1.0 Introduction

2.0 Literature Review

3.0 Model Framework

4.0 Scenarios

5.0 Qualitative Analysis

6.0 Recommendations
6.1 Specific Research
6.2 Gap and Sensitivity

7.0 References

Appendix A

6.1 Specific Research Recommendations for Development of the CCEF

As for the CCEF development in general, this Framework should satisfy the current and future needs of the American Chemistry Council and chemical companies for realistic exposure assessments. It is a difficult task to satisfy future needs, but if the CCEF is developed to be a flexible system that can accept new models, databases, and algorithms of various scales and purposes, then the CCEF can be a tool that can accommodate future research needs and changes in policies and regulations. The CCEF that is presented in this report is designed to be flexible and to support the micro-environmental modeling scale as well as to span various scales of modeling (i.e. meso- and macro-environmental modeling).

There is an interrelationship between basic science, information, and decisions. The basic science provides the foundation upon which decisions are made, but direct use of these results are generally cumbersome, confusing, highly technical, and not in a format that is readily comprehensible. Linkages between meso-scale (i.e., first-order) modeling and visualization, which provide information for decision-makers, and the science-support basic research and modeling, which provide the foundation for expressing information upon which decisions are made, are sorely needed. By formalizing the interrelationships between basic science, information, and decisions, one integrates modern computing and information technology with the technology of molecular biology and chemistry to improve the prioritization of data requirements and risk assessments for toxic chemicals. The overarching goal is for science-based quantitative risk assessments to manage chemicals in the environment without overly burdening the chemistry industry.

The design of a CCEF provides an overarching software framework that links basic science, information, and decisions by informing and advising the American Chemistry Council. CCEF supports the American Chemistry Council in its effort to identify, facilitate, and communicate generic research that will characterize people's exposure to chemicals, especially nonagricultural chemicals, and raise the confidence and lower the uncertainty for quantitative estimates of exposure associated with potential human health effects to chemicals. The CCEF facilitates key elements of science-based decisions including risk analysis (human, ecological, financial, and programmatic), hazard assessment, exposure characterization, micro-environmental modeling, computational toxicology, cost analysis, and decision analysis. The CCEF provides scientific information needed to establish and defend science-informed policy and assistance in setting programmatic direction and research agendas.

If the American Chemistry Council decides to develop the CCEF into a full system, a critical piece of the development is documentation and testing. If full sets of documents are developed that include the unit and system testing, any modification and upgrades can be made easily and efficiently. Well-documented test plans that are based on the system requirements and design ensure proper operation, but this also ensures easier modifications and upgrades to the components and the overall framework. A fine balance between the development and the documentation of the framework is critical. Unfortunately, many well-designed and currently developed frameworks and models are never used because of lack of adequate documentation and testing. Battelle has learned this lesson and has found that documentation and testing require a significant investment of the budget to create a defensible and useful framework, set of models and databases.

Following the design of the CCEF, the following recommendations are made:

• Formulate software specifications for the CCEF, which implement the CCEF design, as the initial step for the development of the software package that will facilitate the implementation of science-based modeling and linkage to regulatory and compliance standards, which are directly influenced by the science-based modeling.
• Coordinate the development effort with the Multimedia Development and Modeling Committee, organized under a Federal Memorandum of Understanding (MOU) between the U.S. Environmental Protection Agency (Office of Research and Development), U.S. Department of Energy (Office of Environmental Management), U.S. Nuclear Regulatory Commission (Office of Research), U.S. Department of Interior (U.S. Geological Survey), U.S. Department of Agriculture (Agricultural Research Service), and the U.S. Department of Defense (Engineer Research and Development Center).
• Identify databases and science-support models for inclusion into the framework.
• Identify regulatory and compliance databases and software for inclusion into the framework.
• Link appropriate databases and software to the CCEF to evaluate the risk paradigm from multiple perspectives (science-support and meso-level).
• Develop the support tools (e.g., visualization and tabularization) to allow the decision-makers to readily establish science-based policy or challenge ill-conceived regulatory mandates.
• Test and apply the framework to a policy issue of concern to the American Chemistry Council.