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MOAtox: A Comprehensive Mode of Action and Acute Aquatic Toxicity Database for Predictive Model Development
Citation:
Barron, M., CrystalR Jackson, AND T. Martin. MOAtox: A Comprehensive Mode of Action and Acute Aquatic Toxicity Database for Predictive Model Development. AQUATIC TOXICOLOGY. Elsevier Science Ltd, New York, NY, 161:102-107, (2015).
Impact/Purpose:
Reporting a database of mode of action assignments and aquatic toxicity values
Description:
tThe mode of toxic action (MOA) has been recognized as a key determinant of chemical toxicity andas an alternative to chemical class-based predictive toxicity modeling. However, the development ofquantitative structure activity relationship (QSAR) and other models has been limited by the avail-ability of comprehensive high quality MOA and toxicity databases. The current study developed adataset of MOA assignments for 1213 chemicals that included a diversity of metals, pesticides, andother organic compounds that encompassed six broad and 31 specific MOAs. MOA assignments weremade using a combination of high confidence approaches that included international consensus clas-sifications, QSAR predictions, and weight of evidence professional judgment based on an assessmentof structure and literature information. A toxicity database of 674 acute values linked to chemicalMOA was developed for fish and invertebrates. Additionally, species-specific measured or high con-fidence estimated acute values were developed for the four aquatic species with the most reportedtoxicity values: rainbow trout (Oncorhynchus mykiss), fathead minnow (Pimephales promelas), bluegill(Lepomis macrochirus), and the cladoceran (Daphnia magna). Measured acute toxicity values met strictstandardization and quality assurance requirements. Toxicity values for chemicals with missing species-specific data were estimated using established interspecies correlation models and procedures (Web-ICE;http://epa.gov/ceampubl/fchain/webice/), with the highest confidence values selected. The resultingdataset of MOA assignments and paired toxicity values are provided in spreadsheet format as a com-prehensive standardized dataset available for predictive aquatic toxicology model development.
