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1997年3月，利用QSAR构效关系分析方法和计算模拟手段，对中国沿海地区常用的11种有机磷农药对海洋亚心形扁藻的半数抑制浓度进行研究。建立有机磷农药对海洋扁藻致毒效应的QSAR模型：（n＝11，S＝30，R＝0．9606）。模型分析表明，有机磷农药的毒性大小主要受亲脂性、电子密度和立体结构的影响，也是多个因素综合作用的结果。一般说来，有机磷农药亲脂性越强，电于密度越大，立体结构越复杂，对扁藻的致毒效应越大。所建模型不仅相关性较高，而且依此模型估算的EC50预测值与实验值基本相符。说明QSAR分析可以引入到海洋环境毒理领域，作为评价和预测某些有机污染物对海洋生物伤害性的有效方法之一。研究还发现，模型的系数和常数除与物种有关外，是与环境因子-盐度等有关的函数，可以由阐述定量结构-活性相关性扩展到阐述定量环境-结构-活性相关性。
In March 1997, the QSAR QOSAR method and computational simulation were used to study the half inhibitory concentrations of 11 organophosphorus pesticides commonly used in coastal China. To establish a QSAR model of organophosphorus pesticide-induced toxic effects on P. alga: (n = 11, S = 30, R = 0.9606). The model analysis shows that the toxicity of organophosphorus pesticides is mainly affected by lipophilicity, electron density and steric structure, and is also the result of the combination of multiple factors. In general, the stronger the lipophilicity of organophosphorus pesticides, the greater the density of electricity, the more complex the three-dimensional structure and the greater the toxic effect on the blue alga. The model is not only highly correlated, but also the EC50 predicted by this model is basically consistent with the experimental value. It shows that QSAR analysis can be introduced into the field of marine environmental toxicology as one of the effective methods to evaluate and predict the harm of certain organic pollutants to marine organisms. The study also found that the coefficients and constants of the model are related to the environmental factors, such as salinity, except for the species, and can be expanded from the quantitative structure-activity correlation to the quantitative environmental-structure-activity correlation.