A LOCAL LYMPH-NODE ASSAY VALIDATION-STUDY OF A STRUCTURE-ACTIVITY RELATIONSHIP MODEL FOR CONTACT ALLERGENS

A structure-activity relationship model for prediction of contact alle rgenic potential of chemicals had previously been developed. The model had been shown to be able to classify known allergens and non-allerge ns using data on physicochemical and reactivity parameters of function al groups by discriminant two-value multiple regression analysis, To i nvestigate the model, six selected chemicals which had not been previo usly investigated for allergenicity were studied with both the model a nd a murine local lymph-node assay. The same compounds were predicted to be allergens (3-bromo-2-coumaranone, 1-nitrocyclohexene and alpha-a cryloyloxy-beta, beta-dimethyl-beta-butyrolactone) and non-allergens ( 1-carbethoxy-4-piperidone, 6,7-dimethoxy-2-tetralone and 9-acetylanthr acene) by both the model and the local lymph-node assay.