出版社：International Academy of Ecology and Environmental Sciences
摘要：A quantitative structure–retention relation (QSRR) study was conducted on the retention times of organic pollutants in textile wastewaters and landfill leachate which obtained by liquid chromatography-reversed phase-atmospheric pressure chemical ionisation-mass spectrometry (LC-APCI-MS). The genetic algorithm was used as descriptor selection and model development method. Modeling of the relationship between selected molecular descriptors and retention time was achieved by linear (partial least square; PLS) and nonlinear (Levenberg-Marquardt artificial neural network; L-M ANN) methods. Linear and nonlinear methods resulted in accurate prediction whereas more accurate results were obtained by L-M ANN model. This is the first research on the QSRR of the organic pollutants in textile wastewaters and landfill leachate against the retention time.
