Qualitative SAR analysis of food additives and constituents

For a food contact material with no relevant genotoxicity or carcinogenicity data with an estimated daily intake (EDI) of 1.5 pg/p/d, FDA would not normally recommend testing. If the food contact material contained SAs, such as the bisfuran polycyclic substructure of aflatoxin Bj (CASRN 1162-65-8), FDA may recommend additional specific tests due to the potential concern for public safety. 

For a constituent of an additive with equivocal (mixed positive and negative) battery of genetic toxicity tests and a EDI of 150 pg/p/d, SAR analysis for SAs and predictive software such as MDL QSAR (Contrera et al, 2005) and MultiCASE s MC4PC (Rosenkranz and Klopman, 1988 Matthews and Contrera, 1998) may be used as part of the weight of evidence approach in assessing the safety of the compound. If a constituent were of potential concern, a quantitative SAR analysis might be feasible to characterize the expected risk. 

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