| 有机污染物生物降解性预测模型 |
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| 引用本文： | 李彦莹,李雪花,杨先海,陈广超,陈景文.有机污染物生物降解性预测模型[J].生态毒理学报,2012,7(5):549-555. |
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| 作者姓名： | 李彦莹 李雪花 杨先海 陈广超 陈景文 |
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| 作者单位： | 大连理工大学环境学院工业生态与环境工程教育部重点实验室,大连,116024 |
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| 基金项目： | 国家863计划重点项目(2010AA065105)和工业生态与环境工程教育部重点实验室开放课题 |
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| 摘 要： | 生物降解性是评估污染物环境持久性的重要依据,也是化学品是否获准生产及进入市场的评价指标。采用17位生物降解领域专家评估的生物降解等级数据,通过功能树(FT)算法建立了包含15个分子结构参数的初级生物降解和最终生物降解预测模型。外部验证结果表明,模型具有较好的预测准确性,初级生物降解性加权准确度(weighted accuracy,WA):训练集WA=84.1%,验证集WA=78.9%;最终生物降解性WA:训练集WA=91.0%;验证集WA=83.6%。预测正确性对化合物的杠杆值作图,表征了生物降解性模型的应用域。
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| 关 键 词： | 有机污染物 初级生物降解性 最终生物降解性 预测模型 功能树 |
| 收稿时间： | 2012/6/29 0:00:00 |
| 修稿时间： | 2012/9/29 0:00:00 |
Predicting Models for Biodegradability of Organic Pollutants |
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| Li Yanying,Li Xuehu,Yang Xianhai,Chen Guangchao and Chen Jingwen.Predicting Models for Biodegradability of Organic Pollutants[J].Asian Journal of Ecotoxicology,2012,7(5):549-555. |
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| Authors: | Li Yanying Li Xuehu Yang Xianhai Chen Guangchao and Chen Jingwen |
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| Institution: | Liaoning Key Laboratory of Industrial Ecology and Environmental Engineering (MOE), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China;Liaoning Key Laboratory of Industrial Ecology and Environmental Engineering (MOE), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China;Liaoning Key Laboratory of Industrial Ecology and Environmental Engineering (MOE), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China;Liaoning Key Laboratory of Industrial Ecology and Environmental Engineering (MOE), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China;Liaoning Key Laboratory of Industrial Ecology and Environmental Engineering (MOE), School of Environmental Science and Technology, Dalian University of Technology, Dalian 116024, China |
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| Abstract: | |
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| Keywords: | organic pollutants primary biodegradability ultimate biodegradability prediction model functional tree |
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