QSAR预测模型在水环境化学中的研究进展
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摘要
自然环境介质中化学污染物不断增多,传统检测方法的局限性日益突出,通过建立定量构效关系(quantitative structure activity relationship,QSAR)模型来预测化学物质在水环境中性质的方法逐渐成为主流。本文介绍了被动采样中平衡分配系数、生物富集因子及双酚A类似物雌激素干扰效应的QSAR模型的建立,具体体现了QSAR预测模型在毒性效应、干扰效应及测量手段等方面的应用,以期其在未来有更好的应用前景。
With the increase of chemical pollutants in natural environment media,the limitations of traditional detection methods have become increasingly prominent.Establishing quantitative structure activity relationship(QSAR) model to predict the properties of chemical substances in water environment has gradually become the mainstream.This paper introduces three different QSAR models,which embodies the application of QSAR prediction model in toxicity and measurement means,in order to have a better application prospect in the future.
With the increase of chemical pollutants in natural environment media,the limitations of traditional detection methods have become increasingly prominent.Establishing quantitative structure activity relationship(QSAR) model to predict the properties of chemical substances in water environment has gradually become the mainstream.This paper introduces three different QSAR models,which embodies the application of QSAR prediction model in toxicity and measurement means,in order to have a better application prospect in the future.
引文
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[2] 刘羽晨,乔显亮.水生生物急性毒性QSAR模型研究进展[J].生态毒理学报,2015,10(2):26-35.
[3] 范德玲,马益,刘济宁,等.化学品鱼类急性毒性QSAR模型研究[J].现代化工,2011,31(s2):120-126.
[4] 杨蕾,罗翔,王雅,等.有机污染物的被动采样材料-水分配系数的QSAR研究[J].生态毒理学报,2016,11(6):53-60.
[5] 秦红,陈景文,王莹,等.有机污染物生物富集因子定量预测模型的建立与评价[J].科学通报,2009,(1):27-32.
[6] 杨先海,刘会会,杨倩,等.双酚A类似物雌激素干扰效应的定量结构-活性关系模型[J].生态毒理学报,2016,11(4):69-78.
[2] 刘羽晨,乔显亮.水生生物急性毒性QSAR模型研究进展[J].生态毒理学报,2015,10(2):26-35.
[3] 范德玲,马益,刘济宁,等.化学品鱼类急性毒性QSAR模型研究[J].现代化工,2011,31(s2):120-126.
[4] 杨蕾,罗翔,王雅,等.有机污染物的被动采样材料-水分配系数的QSAR研究[J].生态毒理学报,2016,11(6):53-60.
[5] 秦红,陈景文,王莹,等.有机污染物生物富集因子定量预测模型的建立与评价[J].科学通报,2009,(1):27-32.
[6] 杨先海,刘会会,杨倩,等.双酚A类似物雌激素干扰效应的定量结构-活性关系模型[J].生态毒理学报,2016,11(4):69-78.