Studies on the Correlation Between Toxicity of Polychlorinated Diphenyl Furans and Path Index

Polychlorinated diphenyl furans is included in the blacklist of so-called persistent pollutants. The poisonousness of Polychlorinated diphenyl furans has relation to its structure. Some index of polychlorinated diphenyl furans were defined and calculated by the technique of molecule graphics and AMl. Quantitative structure - activity relationship for estimating toxicity of polychlorinated diphenyl furans were developed based on multiple regression and the regression equations were proposed, with mean deviation of 0.387. The results show that the model developed can make a better agreement between estimated and observed of the tested compounds than ever before. Jackknifed method procedure indicate that the model possesses better predictability and robustness.