TOXI 36 |
| We have developed a comprehensive system for assessing mutagenic potential of new compounds. The system is built on Ames data from public sources such as NTP, as well as our internal data and the database comprises ~7000 compounds. Any molecule submitted to the system is passed through a series of steps and the output lists i) structural near neighbours with experimental results ii) alerting substructures iii) consensus QSAR results consisting of three different QSAR models. A set of rules that aid interpretation of the output and enhance the overall predictive performance has been derived. The system provides a more complete picture of the information available when doing risk assessment of new compounds and allows a more realistic view of the underlying data. Using only QSAR predictions, accuracy ranges from 85-90%. The confidence for an individual prediction varies depending on additional output and gives an overall confidence index for each prediction. |
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Poster Session and Awards
6:00 PM-10:00 PM, Tuesday, August 21, 2007 BCEC -- 204 A/B, Poster
Sci-Mix
Division of Chemical Toxicology |