Development,Characterization and Application of Predictive-Toxicology Models

Abstract

The adoption of SAR techniques for risk assessment purposes requires that the predictive performance of models be characterized and optimized. The development of such methods with respect to CASE/MULTICASE are described. Moreover the effects of size, informational content, ratio of actives/inactives in the model on predictivity must be determined.

Characterized models can provide mechanistic insights: nature of toxicophore, reactivity, receptor binding. Comparison of toxicophores among SAR models allows a determination of mechanistic overlaps (e.g., mutagenicity, toxicity, inhibition of gap junctional intercellular communication vs. carcinogenicity).

Methods have been developed to combine SAR submodels and thereby improve predictive performance.

Now that predictive toxicology methods are gaining acceptance, the development of Good Laboratory Practices is a further priority, as is the development of graduate programs in Computational Toxicology to adequately train the needed professional.     

氯化汞染毒小鼠各脏器中汞和微量元素的测定及分析

本文研究了荧光光度法和原子吸收分光光度法测定氯化汞染毒小鼠各脏器中汞、钙、铁、锌、铜等金属浓度,结果显示染毒组小鼠多数脏器中上述金属浓度显著高于对照组,提示脏器中钙、铁、锌、铜等微量元素含量异常可能是氯化汞引起物重要因素之一。