Prediction on Subcooled Liquid Vapor Pressures of PCDD/Fs
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.
Hexing Li, Qunjie Xu and Daquan Zhang
S. Qiao et al., "Prediction on Subcooled Liquid Vapor Pressures of PCDD/Fs", Advanced Materials Research, Vols. 356-360, pp. 217-222, 2012