Bintein S, Devillers J, Karcher W
CTIS, Lyon, France.
SAR QSAR Environ Res. 1993;1(1):29-39. doi: 10.1080/10629369308028814.
The log-log relationship between the bioconcentration tendency of organic chemicals in fish and the n -octanol/water partition coefficients breaks down for very hydrophobic compounds. The use of parabolic and bilinear models allows this problem to be overcome. The QSAR equation log BCF = 0.910 log P - 1.975 log (6.8 10(-7) P + 1) - 0.786 (n = 154; r = 0.950; s = 0.347; F = 463.51) was found to be a good predictor of bioconcentration in fish.
鱼类中有机化学品的生物富集趋势与正辛醇/水分配系数之间的双对数关系对于非常疏水的化合物不再适用。使用抛物线模型和双线性模型可以克服这个问题。发现QSAR方程log BCF = 0.910 log P - 1.975 log (6.8×10⁻⁷P + 1) - 0.786(n = 154;r = 0.950;s = 0.347;F = 463.51)是鱼类生物富集的良好预测指标。