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

A technology of quantitative structure-activity relationship and prediction method, which is applied in general water supply conservation, special data processing applications, instruments, etc., and can solve the problems that there are still few studies on heavy metal chronic toxicity prediction models, and no patent publications have been retrieved.

Inactive Publication Date: 2015-09-16
CHINESE RES ACAD OF ENVIRONMENTAL SCI
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Problems solved by technology

At present, there are few studies on heavy metal chronic toxicity prediction models, and no related patent publications have been retrieved

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

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Embodiment Construction

[0059] The above and other technical features and advantages of the present invention will be described in more detail below in conjunction with the accompanying drawings.

[0060] The principle of the present invention is to predict the toxicity endpoint of unknown metals based on the quantitative relationship between the structural characteristics of heavy metal ions and the chronic toxicity effects of aquatic organisms, and combine the sensitivity distribution analysis of different species to deduce the dangerous concentrations that protect 5%, 10% and 20% of aquatic organisms . It is a method to establish a QSAR metal toxicity prediction model based on the physical and chemical structure parameters of heavy metals and the toxicity mechanism of different aquatic organisms, and apply it to predict unknown benchmark reference values.

[0061] Such as figure 1 As shown, it is a schematic flow chart of the freshwater chronic benchmark prediction method based on the quantitativ...

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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.

Description

technical field [0001] The invention relates to the field of water quality pollution evaluation, in particular to a method for predicting fresh water chronic benchmarks based on the quantitative structure-activity relationship of metals. Background technique [0002] Heavy metal pollution is becoming more and more serious. Excessive heavy metals enter the natural environment, causing harmful effects on the ecological environment and aquatic organisms. Baseline continuous concentration is a water environment quality benchmark index widely used in pollutant risk assessment, which effectively characterizes the chronic toxic effects and ecological risks of pollutants. Currently, the US EPA has issued baseline continuous concentrations of 10 metals, including copper, zinc, mercury, nickel, cadmium, chromium, lead, aluminum, iron, and arsenic. The lack of toxicity data for other metals has not yet been published, which restricts the scientific evaluation of water quality, emerge...

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Application Information

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Patent Type & Authority Applications(China)
IPC IPC(8): G06F19/00
CPCY02A20/152
Inventor 穆云松吴丰昌廖海清赵晓丽白英臣冯承莲陈程郄玉
Owner CHINESE RES ACAD OF ENVIRONMENTAL SCI
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