A comparison of the fragment constant and molecular connectivity indices models for normalized sorption coefficient estimation.

@article{Tao2001ACO,
  title={A comparison of the fragment constant and molecular connectivity indices models for normalized sorption coefficient estimation.},
  author={Shu Tao and X Lu and Jun Cao and Richard W. Dawson},
  journal={Water environment research : a research publication of the Water Environment Federation},
  year={2001},
  volume={73 3},
  pages={307-13}
}
Fragment constant and molecular connectivity indices models were developed based on the measured normalized sorption coefficient values of 592 chemicals. The two models were compared for precision in terms of their adjusted coefficients of determination and their mean residuals. Model robustness was evaluated and compared using jackknifed mean residuals derived from class-by-class deletion. Results indicated that a relatively greater precision could be achieved using the fragment constant… CONTINUE READING

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