Computational Toxicology Research
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2006 Board of Scientific Counselors Computational Toxicology Review
Note: EPA no longer updates this information, but it may be useful as a reference or resource.
The Computational Toxicology Research Program became operational on February 20, 2005. On April 25-26, 2005, the BOSC Computational Toxicology Subcommittee held its first public meeting at the Office of Research and Development's (ORD) Research Triangle Park (RTP), North Carolina facility, where the majority of NCCT staff is located. This meeting was intended as the first of several consultative reviews of the Center's progress, and was prospective in nature, due to the newness of the Center. The Subcommittee developed a letter report from the April meeting which addressed six charge questions that concentrated on the NCCT's strategic goals; its collaborations, and connectedness to the rest of the Agency and to outside scientists; its staffing plan; and its thematic choices. The letter report was finalized by the BOSC Executive Committee and transmitted to ORD in July 2005. A formal response of the NCCT to the review was provided to the BOSC at their September 2005 Executive Committee meeting.
The purpose of the June 2006 review was to continue to provide the NCCT with advice on the progress the Center has made, in the past year, in fulfilling its mission and strategic goals. In particular, the subcommittee addressed the following questions:
- What progress has been made in the last year in developing/maximizing connections and collaborations within ORD and the Agency, through communities of practice and other interactions? Are there notable examples of collaborations that have been established that increase the reach and effectiveness of the NCCT? Are there additional collaboration opportunities the NCCT should explore?
- How does the work of the new extramural bioinformatics centers complement the intramural program, and how should the outputs best be integrated into NCCT strategic direction?
- Although the intent is not to review individual research programs, do the research programs highlighted during this review offer the promise of increasing the use and effectiveness of computational methods in Agency research? Do the efforts fulfill the goal of leveraging the resources of the NCCT to increase effectiveness?
- Since a large part of the mission of the NCCT is to accelerate the use of computational tools in the mission of the Agency, please comment on:
- Do the proposed computational models have the potential to identify and reduce uncertainties associated with the risk assessment process?
- Will these models be able to help identify susceptible populations and compare potential risks to those populations with risks to the general and less susceptible population?
- Is the coordination between model development and associated data collection sufficient to avoid problems with the models being either over- or under-determined?
- Please comment on the comp tox implementation plan, focusing on the NCCT and STAR center components. Does it set an achievable road map for accomplishing the NCCT's major goals over the next 3 years, as described in A Framework for a Computational Toxicology Research Program? Does it set realistic and relevant milestones, and clearly articulate projected program outputs that will result in environmental outcomes?
- Please comment on the progress made in the 5 major research track thematic areas of the comp tox research program, and whether the current/planned research will address the major goals in the Framework. The Center has made staffing additions and initiated new research over the past year. Based on these changes, what is your view of the depth and breadth of the areas selected for emphasis?
- What is the evidence that the NCCT is responsive to program office and regional research needs? 8. Please comment on how effectively the NCCT is communicating its research program to EPA Program Offices, Regional Offices, and other stakeholders to inform their environmental decision making.
- Is the current research program designed to achieve environmental outcomes? Please provide recommendations on how the NCCT can best measure these outcomes.
- Linkage of Exposure and Effects Using Genomics, Proteomics, and Metabolomics in Small Fish Models
- Systems Biology Modeling of Fathead Minnow Response to Endocrine Disruptors
- Chemical Induced Changes in Gene Expression Patterns Along the HPG-axis at Different Organizational Levels Using a Small Animal Model (Japanese medaka)
- DSSTox Project: Supporting Improved Toxico-Chemoinformatics Capabilities
- Towards a Chemogenomic Future
- Simulating Metabolism of Xenobiotic Chemicals as an Indicator of Toxicity
- Peroxisome-Proliferator Activated Receptors as a Macromolecular Target for Chemical Toxicity: Models of the Interactions of PPARs with Perfluorinated Organic Compounds
- Molecular Models of Pyrethroid Metabolism by Carboxylesterases: Differential Effects Due To Stereochemistry
- Virtual Screening for Endocrine Disrupting Compounds
- Macromolecular Modeling to Predict and Understand Toxicity: The Polycyclic Aromatic Hydrocarbons as a Test System
- Reference Toxicological Database (RefToxDB) for Pesticides and Other Environmental Chemicals
- Mechanistic Approaches to Screening Chemicals for Endocrine Toxicity Using an Invertebrate
- Development and Application of a Bioluminescent Yeast-Reporter System for Screening Chemicals for Estrogenic and Androgenic Effects
- Using a Sensitive Japanese Medaka (Oryzias latipes) Fish Model for Endocrine Disruptors Screening
- Statistical Analysis of PBPK Models
- Age-Dependent Differences in the Pharmacokinetics of Volatile Organic Compounds Utilizing Physiologically-Based Pharmacokinetic Modeling of Rat
- Prostate Regulation: Modeling Endogenous Androgens and Exogenous Antiandrogens
- Mathematical Model of Steroidogenesis to Predict Dynamic Response to Endocrine Disruptors
- Use of Toxicogenomics Data in Risk Assessment: Case Study for a Chemical in the Androgen-Mediated Male Reproductive Development Toxicity Pathway
- Dose-Response Modeling for the Assessment of Cumulative Risk Due to Exposure to N-Methyl Carbamate Pesticides
- Cumulative Risk Characterization Research in US EPA's National Center for Computational Toxicology
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|Monday, June 19, 2006|
|9:00 a.m. - 9:30 a.m.||Registration|
|9:30 a.m. - 9:45 a.m.||Welcome and Introductions||Dr. George Daston, Subcommittee Chair|
|- DFO Remarks||Lori Kowalski, ORD|
|9:45 a.m. - 10:00 a.m.||ORD Welcome and Comments||TBD|
|10:00 a.m. - 10:45 a.m.||Programmatic Overviews|
|- Computational Toxicology Research Program (CompTox) Implementation Plan and National Center for Computational NCCT Toxicology (NCCT) Activities
|Dr. Robert Kavlock, Director, NCCT/Dr. Jerry Blancato, Deputy Director, NCCT|
|10:45 a.m. - 11:00 a.m.||Discussion Comp Tox Subcommittee|
|11:00 a.m. - 12:00 noon||Science to Achieve Results (STAR)
Bioinformatics Center Overviews
|- University of North Carolina (UNC) at Chapel Hill Bioinformatics Center
|Dr. Fred Wright, UNC|
|- University of Medicine and Dentistry of New Jersey (UMDNJ) Bioinformatics Center
|Dr. William Welsh, UMDNJ|
|12:00 noon - 12:30 p.m.||Discussion||Comp Tox Subcommittee|
|12:30 p.m. - 1:30 p.m.||Lunch|
|1:30 p.m. - 3:30 p.m.||Selected Research Project Presentations|
|Dr. Keith Houck, NCCT|
|Dr. David Dix, NCCT|
|- Virtual Liver
|Dr. Rory Conolly, NCCT|
|3:30 p.m.- 4:00 p.m.||Break|
|4:00 p.m. - 5:00 p.m.||Communities of Practice
|Dr. Ann Richard, NCCT|
|- Chemical Prioritization
|Dr. David Dix, NCCT|
|- Biological Modeling
|Dr. Hugh Barton, NCCT|
|- Cumulative Risk (proposal)
|Dr. Elaine Hubal, NCCT|
|5:00 p.m. - 5:30 p.m.||Discussion||Comp Tox Subcommittee|
|Tuesday, June 20, 2006|
|9:00 a.m. - 11:00 a.m.||Poster Session (16 posters)||Comp Tox Subcommittee/Meeting Participants|
|11:00 a.m. - 11:30 a.m.||Discussion
- Highlights from posters
|Comp Tox Subcommittee|
|11:30 a.m. - 11:45 a.m.||Public Comment|
|11:45 a.m. - 12:30 noon||Subcommittee Work Time||Comp Tox Subcommittee|
|12:30 p.m. - 1:30 p.m.||Lunch|
|1:30 p.m. - 2:45 p.m.||Subcommittee Work Time||Comp Tox Subcommittee|
|2:45 p.m. - 3:15 p.m.||Wrap-Up|
|- Presentation of Preliminary Findings
- Draft Letter Report
- Action Items
|Dr. George Daston, Subcommittee Chair|