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- W2380504648 abstract "The molecular electronegativity distance vector based on 13 atomic types (MEDV) is employed to describe PCDDs isomers structure, and develops the quantitative structure-retention relationships (QSRR) between MEDV and the retention behavior of polychlorinated dibenzodioxins (PCDDs) on gas chromatographic for 4 stationary phases. Using support vector machine (SVM), 4 support vector regression models of experiment value as train-set are developed, with correlation coefficient (R) of 4 models beyond 0.99, and the correlation coefficient left cross validation (q) is also beyond 0.99. 2/3 samples are selected uniformly from experiment value as a new train-set, the rest samples as test-set and the unknown samples as prediction-set built new models, the correlation coefficient (R) of 4 models will also be beyond 0.99. With the established models, the retention behaves of PCDDs not from the modeling samples are predicted." @default.
- W2380504648 created "2016-06-24" @default.
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- W2380504648 date "2005-01-01" @default.
- W2380504648 modified "2023-09-25" @default.
- W2380504648 title "MEDV for Quantitative Structure-Retention Relationship of Polychlorinated Dibenzodioxins on Gas Chromatographic Stationary Phases Based on Support Vector Machine" @default.
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