Abstract

A QSPR model is established for estimating subcooled liquid vapor pressures (log PL) of PCDD/Fs. Three-dimensional holographic vector of atomic interaction field (3D-HoVAIF) is used to describe the chemical structures. The predictivity and stability of the model is also tested by leave-one-out cross-validation. Moreover, the estimated values have been presented for those PCDD/Fs which are lack of experimentally data by the optimum model.

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