title: Regulatory use of computational toxicology tools and databases at the United States Food and Drug Administration's Office of Food Additive Safety.
abstract: Over 10 years ago, the Office of Food Additive Safety (OFAS) in the FDA's Center for Food Safety and Applied Nutrition implemented the formal use of structure-activity relationship analysis and quantitative structure-activity relationship (QSAR) analysis in the premarket review of food-contact substances. More recently, OFAS has implemented the use of multiple QSAR software packages and has begun investigating the use of metabolism data and metabolism predictive models in our QSAR evaluations of food-contact substances. In this article, we provide an overview of the programs used in OFAS as well as a perspective on how to apply multiple QSAR tools in the review process of a new food-contact substance.
authors.affiliation: US Food and Drug Administration, Center for Food Safety and Applied Nutrition, Office of Food Additive Safety, HFS-275, 5100 Paint Branch Parkway, College Park, MD 20740, USA. Kirk.Arvidson@fda.hhs.gov
authors.forename: Kirk B
authors.initials: KB
authors.lastname: Arvidson
authors.forename: Ronald
authors.initials: R
authors.lastname: Chanderbhan
authors.forename: Kristi
authors.initials: K
authors.lastname: Muldoon-Jacobs
authors.forename: Julie
authors.initials: J
authors.lastname: Mayer
authors.forename: Adejoke
authors.initials: A
authors.lastname: Ogungbesan
mesh_terms: D000818:Animals; D019295:Computational Biology / Q000331:legislation & jurisprudence* / Q000379:methods; D016208:Databases, Factual / Q000331:legislation & jurisprudence*; D005503:Food Additives / Q000009:adverse effects*; D006801:Humans; D012449:Safety; D014116:Toxicology / Q000331:legislation & jurisprudence* / Q000379:methods; D014481:United States; D014486:United States Food and Drug Administration / Q000331:legislation & jurisprudence*
chemical_list: D005503:Food Additives