Abstract
A structure-activity relationship model for prediction of contact allergenic potential of chemicals had previously been developed. The model had been shown to be able to classify known allergens and non-allergens using data on physicochemical and reactivity parameters of functional groups by discriminant two-value multiple regression analysis. To investigate the model, six selected chemicals which had not been previously investigated for allergenicity were studied with both the model and a murine local lymph-node assay. The same compounds were predicted to be allergens (3-bromo-2-coumaranone, 1-nitrocyclohexene and α-acryloyloxy-β, β-dimethyl-β-butyrolactone) and non-allergens (1-carbethoxy-4-piperidone, 6,7-dimethoxy-2-tetralone and 9-acetylanthracene) by both the model and the local lymph-node assay.
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Hostýnek, J.J., Lauerma, A.I., Magee, P.S. et al. A local lymph-node assay validation study of a structure-activity relationship model for contact allergens. Arch Dermatol Res 287, 567–571 (1995). https://doi.org/10.1007/BF00374078
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DOI: https://doi.org/10.1007/BF00374078