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Pure Appl. Chem., 2003, Vol. 75, No. 11-12, pp. 2389-2396

http://dx.doi.org/10.1351/pac200375112389

QSAR prioritization of chemical inventories for endocrine disruptor testing

P. Schmieder, Ovanes Mekenyan, Steven Bradbury and G. Veith

U.S. Environmental Protection Agency, Office of Research and Development, National Health and Environmental Effects Research Laboratory, Mid- Continent Ecology Division, 6201 Congdon Blvd., Duluth, MN 55804, USA; Laboratory of Mathematical Chemistry, University “Prof. As. Zlatarov ”, 8010 Bourgas, Bulgaria; U.S. Environmental Protection Agency, Office of Pesticide Programs, Environmental Fate and Effects Division, Washington, DC 20460, USA

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  • Nendza Monika, Gabbert Silke, Kühne Ralph, Lombardo Anna, Roncaglioni Alessandra, Benfenati Emilio, Benigni Romualdo, Bossa Cecilia, Strempel Sebastian, Scheringer Martin, Fernández Alberto, Rallo Robert, Giralt Francesc, Dimitrov Sabcho, Mekenyan Ovanes, Bringezu Frank, Schüürmann Gerrit: A comparative survey of chemistry-driven in silico methods to identify hazardous substances under REACH. Regulatory Toxicology and Pharmacology 2013, 66, 301. <http://dx.doi.org/10.1016/j.yrtph.2013.05.007>
  • Todorov M., Mombelli E., Aït-Aïssa S., Mekenyan O.: Androgen receptor binding affinity: a QSAR evaluation. SAR & QSAR in Env Res 2011, 22, 265. <http://dx.doi.org/10.1080/1062936X.2011.569508>
  • Ankley Gerald T., Bennett Richard S., Erickson Russell J., Hoff Dale J., Hornung Michael W., Johnson Rodney D., Mount David R., Nichols John W., Russom Christine L., Schmieder Patricia K.: Adverse outcome pathways: A conceptual framework to support ecotoxicology research and risk assessment. Environ Toxicol Chem 2010, 29, 730. <http://dx.doi.org/10.1002/etc.34>
  • Aladjov H., Todorov M., Schmieder P., Serafimova R., Mekenyan O., Veith G.: Strategic selection of chemicals for testing. Part I. Functionalities and performance of basic selection methods. SAR & QSAR in Env Res 2009, 20, 159. <http://dx.doi.org/10.1080/10629360902723996>
  • Cronin Mark T. D., Worth Andrew P.: (Q)SARs for Predicting Effects Relating to Reproductive Toxicity. QSAR Comb Sci 2008, 27, 91. <http://dx.doi.org/10.1002/qsar.200710118>
  • Serafimova R, Todorov M, Nedelcheva D, Pavlov T, Akahori Y, Nakai M, Mekenyan O: QSAR and mechanistic interpretation of estrogen receptor binding§. SAR & QSAR in Env Res 2007, 18, 389. <http://dx.doi.org/10.1080/10629360601053992>