Progressive study and robustness test of QSAR model based on quantum chemical parameters for predicting BCF of selected polychlorinated organic compounds (PCOCs).

@article{Wei2001ProgressiveSA,
  title={Progressive study and robustness test of QSAR model based on quantum chemical parameters for predicting BCF of selected polychlorinated organic compounds (PCOCs).},
  author={Dongbin Wei and Amy Q Zhang and Cuiqin Wu and S. A. Han and Louis S. Wang},
  journal={Chemosphere},
  year={2001},
  volume={44 6},
  pages={
          1421-8
        }
}
Systematic analyses on the effects of chemical structures of 31 polychlorinated organic compounds (PCOCs) on their bioconcentration behavior in rainbow trout (Oncorhynchus mykiss) were conducted using quantitative structure-activity relationship (QSAR) techniques. The cluster analyses of individual variables as well as the quality control chart of QSAR model implies the existence of outliers, while the simulation model excluding such samples showed an extreme robustness even if it was tested… CONTINUE READING

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