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

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Published in Green Chem on October 06, 2016

Authors

Vinicius M Alves1,2, Stephen J Capuzzi1, Eugene Muratov1,3, Rodolpho C Braga2, Thomas Thornton1, Denis Fourches4, Judy Strickland5, Nicole Kleinstreuer6, Carolina H Andrade2, Alexander Tropsha1

Author Affiliations

1: Laboratory for Molecular Modeling, Division of Chemical Biology and Medicinal Chemistry, UNC Eshelman School of Pharmacy, University of North Carolina, Chapel Hill, NC, 27599, USA.
2: Laboratory for Molecular Modeling and Design, Faculty of Pharmacy, Federal University of Goias, Goiania, GO, 74605-170, Brazil.
3: Department of Chemical Technology, Odessa National Polytechnic University, Odessa, 65000, Ukraine.
4: Department of Chemistry, Bioinformatics Research Center, North Carolina State University, Raleigh, NC, 27695, USA.
5: Integrated Laboratory Systems, Inc., P.O. Box 13501, Research Triangle Park, NC, 27709, USA.
6: National Institutes of Environmental Health Sciences, Research Triangle Park, NC, 27709, USA.

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