Green Chemistry

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Paper

QSAR models of human data can enrich or replace LLNA testing for human skin sensitization

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Corresponding authors
a
Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, USA
E-mail: alex_tropsha@unc.edu
Fax: +1 (919) 966-0204
Tel: +1 (919) 966-2955
b
Laboratory for Molecular Modeling and Design, Faculty of Pharmacy, Federal University of Goias, Goiania, Brazil
c
Department of Chemical Technology, Odessa National Polytechnic University, Odessa, Ukraine
d
Department of Chemistry, Bioinformatics Research Center, North Carolina State University, Raleigh, USA
e
Integrated Laboratory Systems, Inc., P.O. Box 13501, Research Triangle Park, USA
f
National Institutes of Environmental Health Sciences, Research Triangle Park, USA
g
A.M. Butlerov Institute of Chemistry, Kazan Federal University, 18 Kremlyovskaya Str., 420008, Russia
Green Chem., 2016,18, 6501-6515

DOI: 10.1039/C6GC01836J
Received 06 Jul 2016, Accepted 06 Oct 2016
First published online 06 Oct 2016

This article is part of themed collection: Molecular Design for Reduced Toxicity
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