TY - JOUR
AU - Tropsha, Alexander
AB - Research Use of in Vitro HTS-Derived Concentration–Response Data as Biological Descriptors Improves the Accuracy of QSAR Models of in Vivo Toxicity 1 1 1 1 2 3* 1* Alexander Sedykh, Hao Zhu, Hao Tang, Liying Zhang, Ann Richard, Ivan Rusyn, and Alexander Tropsha 1 2 Laboratory for Molecular Modeling, Division of Medicinal Chemistry and Natural Products, and National Center for Computational Toxicology, U.S. Environmental Protection Agency, Research Triangle Park, North Carolina, USA; Department of Environmental Sciences and Engineering, University of North Carolina–Chapel Hill, Chapel Hill, North Carolina, USA combined with traditional chemical descriptors (Zhu et al. 2008, 2009b). Backogurnd : Quantitative high-throughput screening (qHTS) assays are increasingly being used to inform chemical hazard identic fi ation. Hundreds of chemicals have been tested in dozens of cell qHTS data allow one to distinguish lines across extensive concentration ranges by the National Toxicology Program in collaboration “active” and “inactive” compounds in indi- with the National Institutes of Health Chemical Genomics Center. vidual assays not only based on traditional o Bes jectiv : Our goal was to test a hypothesis that dose–response data points of the qHTS assays parameters such as half-maximal effective con - can serve as biological descriptors of assayed 
TI - Use of            <i>in Vitro</i>            HTS-Derived Concentration–Response Data as Biological Descriptors Improves the Accuracy of QSAR Models of            <i>in Vivo</i>            Toxicity
JF - Environmental Health Perspectives
DO - 10.1289/ehp.1002476
DA - 2010-10-27
UR - https://www.deepdyve.com/lp/unpaywall/use-of-i-in-vitro-i-hts-derived-concentration-response-data-as-y0oAuBSpbk
DP - DeepDyve
ER -