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Computational Approaches for Predicting the Toxicity of Chemicals National Capital Area Chapter Society of Toxicology Fall Symposium December 11, 2000 Lister Hill Auditorium National Library of Medicine Bethesda, Maryland We are grateful to the Association of Government Toxicologists for co-sponsoring today’s symposium. NCAC-SOT Fall Symposium December 11, 2000 This symposium will present new approaches for predicting biological activity and toxicological properties of chemicals. It will also facilitate discussion between scientists who are developing new models and those who would potentially use them. These tools have potential application for product development, screening of large numbers of untested chemicals, and for setting priorities for more in-depth testing. Model development helps to identify structural features of molecules that are related to biological activity and toxicity. Such information helps to identify research that would further improve the predictiveness of models. 7:45–8:30 Registration 8:30–8:40 Welcome and opening comments Bernard A. Schwetz, DVM, Ph.D. President-Elect, NCAC-SOT Acting Deputy Commissioner Food and Drug Administration 8:40–9:20 The Future of Computer-Based Toxicity Prediction: Mechanism-Based Models vs. Information Mining Approaches Ann Richard, Ph.D. Environmental Protection Agency 9:20–10:20 Uses and Limitations of Currenent Correlative/Rule-based, 2D, in Silico Programs for Estimating Chemical Toxicity Edwin Matthews, Ph.D. Food and Drug Administration 10:20–10:40 Break 10:40–11:10 Drug discovery models Dale Johnson, Ph.D. ddplatform, LLC 11:10–11:40 Predicting metabolite formation and toxicity John D. Walker, Environmental Protection Agency 11:40–12:00 Discussion 12:00–1:30 Lunch (on your own) Annual Business Meeting for NCAC-SOT members The Boston Room, NIH Natcher Center Cafeteria -buy your lunch and join us 1:30–2:00 Applying a Toxicology Knowledge Base to Estimate Potential Toxicity Joseph Contrera, Ph.D. Food and Drug Administration 2:00–2:50 New receptor binding/mechanistic models --Computational approaches Weeda Tong, Ph.D. ROW --Biological uses (estrogen/androgen) Dan Sheehan, Ph.D. Food and Drug Administration 2:50–4:50 Regulatory and industry applications and limitations --FDA experiences Mitch Cheeseman, Ph.D. Food and Drug Administration --“What can we predict and what is the value of these predictions?” <Marion Anders, Ph.D. University of Rochester --Future directions James MacGregor, Ph.D. Food and Drug Administration 4:50–5:00 Closing comments Bernard A. Schwetz, DVM, Ph.D. Food and Drug Administration
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