估算有机化合物在鱼体中生物富集因子的片段常数法
PREDICTION OF BIOCONCENTRATION FACTOR OF NON-POLAR ORGANIC COMPOUNDS BY FRAGMENT CONSTANT REGRESSION
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摘要: 根据脂肪烃、多卤联苯、卤代苯和稠环芳烃等80种非极性有机化合物在鱼体中生物富集因子(BCF)的实测数据,建立了有机物在鱼体中生物富集因子的片段常数法估算模型。模型包含9个片段常数和16个结构校正因子,模型可决系数为0.995,平均绝对误差为0.1836个对数单位,学生化残差呈随机分布。以调整可决系数和平均绝对误差为描述统计量,进行了类别剔除的jackknife检验,在此基础上讨论了模型的稳健性。Abstract: Relationship between bioconcentration factor and fragment constants was investigated. Aprediction model was developed on the basis of the observed BCF values of 80 non-polar organic compounds. The precision of the model was evaluated using adjusted coefficient of determination and studentized residuals. Jackknife tests was applied to examine the robustness of the prediction model. The coefficient of determination and the mean residual of the model was 0.995 and 0.1836, respectively.
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Keywords:
- Robustness /
- Bioconcentration factor /
- Fragment constant
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