Solubility prediction of 21 azo dyes in supercritical carbon dioxide using wavelet neural network

Authors: R Tabaraki, T Khayamian, AA Ensafi

Publication date: 2007/12/31

Journal name: Dyes and pigments

Volume: 73

Pages: 230-238

Publisher: Elsevier

The solubility of 21 azo dyes in supercritical carbon dioxide was related to the six descriptors
over a wide range of pressures (100–355bar) and temperatures (308–413K). The wavelet
neural network (WNN) model was constructed with six descriptors as an input layer, eight
neurons as a hidden layer and a neuron as an output layer. The descriptors consisted of
temperature, pressure, LUMO energy, polarizability, volume of the molecule and number of
unsaturated bonds and they were selected based on stepwise feature selection from ...