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Green Chemistry

The home of cutting-edge research on the development of alternative sustainable technologies.

Paper

High-throughput screening of chemicals as functional substitutes using structure-based classification models

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Corresponding authors
a
Oak Ridge Institute for Science and Education (ORISE), Oak Ridge, USA
E-mail: phillips.katherine@epa.gov
Tel: +1-919-541-4966
b
National Center for Computational Toxicology, Office of Research and Development, United States Environmental Protection Agency, Research Triangle Park, USA
c
National Exposure Research Laboratory, Office of Research and Development, United States Environmental Protection Agency, Research Triangle Park, USA
Green Chem., 2017,19, 1063-1074

DOI: 10.1039/C6GC02744J
Received 30 Sep 2016, Accepted 20 Dec 2016
First published online 20 Dec 2016
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