1989
DOI: 10.1016/0169-7439(89)80013-9
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A strategy for ranking environmentally occurring chemicals

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Cited by 49 publications
(11 citation statements)
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“…For toxicologic and biologic testing of large groups of compounds, such as the PCBs, a suitable procedure for selecting representative test compounds (i.e., a training set) is essential. In this study, the selection strategy of Jonsson et al [17] has been applied, which includes a physicochemical characterization of the compounds by PCA in combination with statistical design. The aim of the strategy is to pick congeners with different structural features, which together represent the entire group of compounds.…”
Section: Methodsmentioning
confidence: 99%
“…For toxicologic and biologic testing of large groups of compounds, such as the PCBs, a suitable procedure for selecting representative test compounds (i.e., a training set) is essential. In this study, the selection strategy of Jonsson et al [17] has been applied, which includes a physicochemical characterization of the compounds by PCA in combination with statistical design. The aim of the strategy is to pick congeners with different structural features, which together represent the entire group of compounds.…”
Section: Methodsmentioning
confidence: 99%
“…The two major advantages offered by this approach are that no a priori knowledge about samples or variables is required and that the data structure is represented by as few latent variables as possible [6]. Generally, the major drawback of the method is the difficulty in interpreting the PC in any meaningful way, e.g., as a chemical feature, since a PC may describe many underlying features of a data set [7].…”
Section: Statistical Principlesmentioning
confidence: 99%
“…Recently, a strategy for the development of statistically sound QSAR models for environmental applications was outlined [8,9]. The strategy rests on the statistically designed selection of a representative training set of compounds and on the multivariate modeling of the relationships between chemical descriptors and biological responses.…”
Section: General Considerationsmentioning
confidence: 99%
“…These steps have previously been outlined theoretically [8], practically with literature data [9] and with data measured for a class of halogenated hydrocarbons (the AX-class) [lo]. These steps have previously been outlined theoretically [8], practically with literature data [9] and with data measured for a class of halogenated hydrocarbons (the AX-class) [lo].…”
Section: The Strategymentioning
confidence: 99%