基于金属定量构效关系的淡水慢性基准预测方法

Fresh water chronic standard prediction method based on metal quantitative structure-activity relation

Abstract

The invention relates to the field of water quality pollution evaluation, in particular to a fresh water chronic standard prediction method based on the metal quantitative structure-activity relation. The method includes the steps of predicting the unknown metal virulence terminal point according to the quantitative relation between the structure characteristics of heavy metal ions and the choric toxicity effect of aquatic organisms, and conducting analysis and derivation to obtain the danger concentration that protects aquatic organisms of different ratios through the combination with the sensitiveness distribution of different species. According to the method, the QSAR metal toxicity prediction model is established by synthesizing heavy metal physicochemical structure parameters and toxication mechanisms of different aquatic organisms, and the model is used for predicting the unknown standard continuous concentration. On the basis of the ecology principle, six phyla and eight families of aquatic organisms are screened through a system to serve as a minimum biological prediction set, single-parameter toxicity prediction models are established, and the model accuracy and the prediction capacity are improved.
本发明涉及水质污染评价领域,具体为基于金属定量构效关系的淡水慢性基准预测方法,根据重金属离子的结构特征与水生生物慢性毒性效应的定量关系预测未知金属的毒性终点,结合不同物种的敏感度分布分析推导保护不同比例的水生生物的危险浓度;是综合重金属理化结构参数和不同水生生物的致毒机理建立QSAR金属毒性预测模型,并将其应用于预测未知基准连续浓度的一种方法。本发明基于生态学原理,系统筛选六门八科水生物种作为最小生物预测集,分别构建单参数的毒性预测模型,提高模型精度和预测能力。

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Cited By (1)

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