QSAR models of human data can enrich or replace LLNA testing for human skin sensitization-Reference-Cited by-同舟云学术

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

Published:2016 Issue:24 Volume:18 Page:6501-6515
ISSN:1463-9262
Container-title:Green Chemistry
language:en
Short-container-title:Green Chem.

Author:

Alves Vinicius M.¹²³⁴⁵,Capuzzi Stephen J.¹²³⁴⁵,Muratov Eugene N.¹²³⁴⁵,Braga Rodolpho C.⁶⁷⁸⁹¹⁰,Thornton Thomas E.¹²³⁴⁵,Fourches Denis¹¹¹²¹³¹⁴¹⁵,Strickland Judy¹⁶¹⁷¹⁸¹⁵,Kleinstreuer Nicole¹⁹¹⁸¹⁵,Andrade Carolina H.⁶⁷⁸⁹¹⁰,Tropsha Alexander¹²³⁴⁵

Affiliation:

1. Laboratory for Molecular Modeling

2. Division of Chemical Biology and Medicinal Chemistry

3. UNC Eshelman School of Pharmacy

4. University of North Carolina

5. Chapel Hill

6. Laboratory for Molecular Modeling and Design

7. Faculty of Pharmacy

8. Federal University of Goias

9. Goiania

10. Brazil

11. Department of Chemistry

12. Bioinformatics Research Center

13. North Carolina State University

14. Raleigh

15. USA

16. Integrated Laboratory Systems

17. Inc.

18. Research Triangle Park

19. National Institutes of Environmental Health Sciences

Abstract

An example of structural transformation of human skin sensitizers into various non-sensitizers based on interpretation of QSAR models.

Funder

Conselho Nacional de Desenvolvimento Científico e Tecnológico

Publisher

Royal Society of Chemistry (RSC)

Subject

Pollution,Environmental Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/GC/C6GC01836J

Reference115 articles.

1. Occupational and Non-Occupational Allergic Contact Dermatitis: A Follow-Up Study

2. Fisiopatologia da dermatite de contato alérgica: papel das células T CD8 efetoras e das células T CD4 regulatórias

3. Occupational safety and health, green chemistry, and sustainability: a review of areas of convergence

4. The importance of sustainability ethics, toxicity and ecotoxicity in chemical education and research

5. OECD , The adverse outcome pathway for skin sensitisation initiated by covalent binding to proteins part 1: scientific evidence, OECD Environment, Health and Safety Publications, 2012, http://search.oecd.org/officialdocuments/displaydocumentpdf/?cote=env/jm/mono(2012)10/part1&doclanguage=en, (accessed 8 February 2016)

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