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Predicting modes of toxic action from chemical structure
Citation:
Russom, C., S. Bradbury, S. Broderius, D. Hammermeister, R. Drummond, AND G. Veith. Predicting modes of toxic action from chemical structure. ENVIRONMENTAL TOXICOLOGY AND CHEMISTRY. Society of Environmental Toxicology and Chemistry, Pensacola, FL, 32(7):1441-1442, (2013).
Impact/Purpose:
This is an invited paper, identified as the number 10 most cited article in Environmental Toxicology and Chemistry journal. The article provides a brief historical overview of the database and lessons to be learned from the design and implementation of the research program.
Description:
Like many of the papers in the ET&C top 100 list, the development of the fathead minnow database and the assignment of modes of action to the 617 chemicals therein was the result of a comprehensive research effort by a multidisciplinary team of researchers with expertise in quantitative structure activity relationship (QSAR) modeling, chemistry, toxicokinetics, joint toxicity of chemical mixtures, and behavioral and aquatic toxicology. The fathead minnow database was the culmination of the U.S Environmental Protection Agency’s (EPA) QSAR research program which spanned nearly 20 years, a rare program since many research planning efforts typically run within a five year window of time. The vision for the EPA QSAR program was born out of necessity. With the promulgation of TSCA in 1975, Agency risk assessors needed ready access to information and new innovative methods to determine or estimate the toxicity of existing chemicals and new chemicals submitted under the premanufacturing notification program. This paper provides an overview of the fathead minnow database and discusses lessons learned from its development.
