Improved prediction of fish bioconcentration factor of hydrophobic chemicals.

@article{Dearden2004ImprovedPO,
  title={Improved prediction of fish bioconcentration factor of hydrophobic chemicals.},
  author={John C. Dearden and N M Shinnawei},
  journal={SAR and QSAR in environmental research},
  year={2004},
  volume={15 5-6},
  pages={449-55}
}
Using a large heterogeneous data-set of 640 organic chemicals, we have developed predictive Quantitative Structure-Activity Relationship models for fish bioconcentration factor (BCF). For 539 chemicals with a log Kow (octanol-water partition coefficient) range of -2.3 to 6.0, we developed a model with r2 = 0.664 and a standard error of 0.661; the primary descriptor was log Kow, and others were polarisability, number of amino groups, hydrogen bond acceptor ability and a molecular shape factor… CONTINUE READING