Molecular Descriptors Family on Structure Activity Relationships 6 . Octanol-Water Partition Coefficient of Polychlorinated Biphenyls Lorentz Jäntschi

@inproceedings{Jntschi2006MolecularDF,
  title={Molecular Descriptors Family on Structure Activity Relationships 6 . Octanol-Water Partition Coefficient of Polychlorinated Biphenyls Lorentz J{\"a}ntschi},
  author={Lorentz J{\"a}ntschi},
  year={2006}
}
Octanol-water partition coefficient of two hundred and six polychlorinated biphenyls was model by the use of an original method based on complex information obtained from compounds structure. The regression analysis shows that best results are obtained in four-varied model (r = 0.9168). The prediction ability of the model was studied through leave-one-out analysis (rcv(loo) = 0.9093) and in training and test sets analysis. Modeling the octanolwater partition coefficient of polychlorinated… CONTINUE READING

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