QSPR/QSAR models for prediction of the physico-chemical properties and biological activity of polychlorinated diphenyl ethers (PCDEs)

Polychlorinated diphenyl ethers (PCDEs) are a group of important persistent organic pollutants. In the present study, geometrical optimization and electrostatic potential calculations have been performed for all 209 PCDE congeners at the HF/6-31G * level of theory. A number of statistically-based pa...

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