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- W2320162775 abstract "Vogt, N.B., Bye, E., Thrane, K.E., Jacobsen, T. and Benestad, C., 1989. Composition activity relationships — CARE. Part Il. Indirect and direct mutagens multivariate dose-response regression. Chemometrics and Intelligent Laboratory Systems, 6: 127–142. Part I of this work described the cluster and principal component analysis of the two sample sets and the three types of data available. To investigate the relationship between concentration of chemical compounds and mutagenicity a univariate correlation analysis using Kendall rank correlation has been performed. This shows that there is a systematic difference between the element and polycyclic aromatic hydrocarbon (PAH) variables when bacterial strain Salmonella TA98 is used with and without metabolic activation. Extending the mutagenicity test data to include bacterial strain TA100 reveals that with TA100 the difference between elements and PAH is not observed. Correlation analysis of object scores from principal component analysis (PCA) of elements and PAH versus average mutagenicity and object scores from PCA of mutagenicity dose-response data is used to interpret the connection between source contrasts and mutagenicity. Partial least squares regression is made to obtain predictive models and interpretation of the connection between chemistry and dose-response mutagenicity. The analysis shows that there are substantial differences between the two sets of samples with respect to how well the biological activity may be predicted." @default.
- W2320162775 created "2016-06-24" @default.
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- W2320162775 date "1989-07-01" @default.
- W2320162775 modified "2023-09-26" @default.
- W2320162775 title "Composition activity relationships — CARE" @default.
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- W2320162775 doi "https://doi.org/10.1016/0169-7439(87)80055-2" @default.
- W2320162775 hasPublicationYear "1989" @default.
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