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
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, PhD
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, PhD
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, PhD
Food and Drug Administration
10:20-10:40 Break
10:40-11:10 Drug
discovery models
Dale Johnson, PhD
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,
-buy
your lunch and join us
1:30-2:00 Applying
a Toxicology Knowledge Base to Estimate Potential Toxicity
Joseph Contrera, PhD
Food and Drug Administration
2:00-2:50 New receptor
binding/mechanistic models
--Computational approaches
Weeda Tong, PhD
ROW
--Biological uses
(estrogen/androgen)
Dan Sheehan, PhD
Food and Drug Administration
2:50-4:50 Regulatory
and industry applications and limitations
--FDA experiences
Mitch Cheeseman, PhD
Food and Drug Administration
--“What can we predict
and what is the value of these predictions?”
Marion Anders, PhD
--Future directions
James MacGregor, PhD
Food and Drug Administration
4:50-5:00 Closing comments
Bernard A. Schwetz, DVM, PhD
Food and Drug Administration