Estimation of n-Octanol/Water Partition Coefficients (log KOW) of Polychlorinated Biphenyls by Using Quantum Chemical Descriptors and Partial Least Squares

Estimation of n-Octanol/Water Partition Coefficients (log KOW) of Polychlorinated Biphenyls by Using Quantum Chemical Descriptors and Partial Least Squares

The n-octanol/water partition coefficient (log KOW) is a useful parameter for the assessment of the environmental fate and impact of xenobiotic trace contaminants. Quantitative structure-activity relationship (QSAR) model for log KOW of polychlorinated biphenyls (PCBs) was analyzed by using the dens...

Full description

Bibliographic Details
Main Authors: Fang-Li Zhang, Xing-Jian Yang, Xiu-Ling Xue, Xue-Qin Tao, Gui-Ning Lu, Zhi Dang
Format: Article
Language:English
Published: Hindawi Limited 2013-01-01
Series:Journal of Chemistry
Online Access:http://dx.doi.org/10.1155/2013/740548

Similar Items

Similar Items