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STRUCTURE/ACTIVITY MODELS OF TOXICOLOGICAL PHENOMENA

毒理学现象的结构/活性模型

基本信息

批准号：
2875993
负责人：
NANCY B SUSSMAN
金额：
$ 10万
依托单位：
UNIVERSITY OF PITTSBURGH AT PITTSBURGH
依托单位国家：
美国
项目类别：
财政年份：
1998
资助国家：
美国
起止时间：
1998-09-30 至 2001-09-29
项目状态：
已结题

来源：
https://reporter.nih.gov/project-details/2875993
关键词：
chemical models chemical structure function environmental toxicology model design /development toxicant screening

项目摘要

The broad objective of the research project is to develop improved SAR models. The general hypothesis that the authors will test is that systematic application of research criteria, procedures and methods will lead to the creation of better SAR models. In particular, the authors propose to: a) develop criteria concerning database size and features that will improve the predictive ability of the resulting SAR models, b) determine the relative effectiveness of various processes used for model building, c) research the best procedure for estimating the future prediction accuracy of an SAR model and d) characterize the power of combined SAR models or SAR model results from several model building processes. The resulting optimized SAR models with relevant descriptors of their accuracy and reliability can be used to screen untested chemicals in health risk assessment and/or to reduce or replace animal testing for certain biological endpoints. The SAR models can also help in clarifying the mechanism of the biological phenomena at the molecular level.

该研究项目的总体目标是开发改进的SAR 模型作者将检验的一般假设是，研究标准、程序和方法的系统应用将从而创建更好的SAR模型。作者特别建议：a）制定关于数据库规模和特点的标准这将提高合成孔径雷达模型的预测能力， B）确定用于以下目的的各种过程的相对有效性：建立模型，c）研究预测未来的最佳程序 SAR模型的预测精度，以及d）表征组合SAR模型或来自多个模型构建的SAR模型结果流程. 由此产生的优化SAR模型与相关描述符其准确性和可靠性可以用来筛选未经测试的健康风险评估中的化学品和/或减少或取代动物测试某些生物学终点。 SAR模型也可以帮助在阐明生物现象的分子机制方面，水平