Freshwater Chronic Benchmark Prediction Method Based on Metal Quantitative Structure-Activity Relationship

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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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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