Improved 3D-QSAR analyzes for the predictive toxicology of polybrominated diphenyl ethers with CoMFA/CoMSIA and DFT-Reference-Cited by-同舟云学术

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Improved 3D-QSAR analyzes for the predictive toxicology of polybrominated diphenyl ethers with CoMFA/CoMSIA and DFT

Published:2010-09 Issue:6 Volume:73 Page:1470-1479
ISSN:0147-6513
Container-title:Ecotoxicology and Environmental Safety
language:en
Short-container-title:Ecotoxicology and Environmental Safety

Author:

Gu Chenggang,Ju Xuehai,Jiang Xin,Yu Kai,Yang Shaogui,Sun Cheng

Funder

National Key Research and Development Program of China

Jiangsu Planned Projects for Postdoctoral Research Funds

National Natural Science Foundation of China

China Postdoctoral Science Foundation

Publisher

Elsevier BV

Subject

Health, Toxicology and Mutagenesis,Public Health, Environmental and Occupational Health,Pollution,General Medicine

Reference74 articles.

1. Polybrominated diphenylethers in sediments and biota and downstream of potential sources in the UK;Allchin;Environ. Pollut.,1999

2. 3D QSAR studies of dioxins and dioxin-like compounds using CoMFA and CoMSIA;Ashek;Chemosphere,2006

3. Density-functional thermochemistry. III. The role of exact exchange;Becke;J. Chem. Phys.,1993

4. Brominated dioxin-like compunds: in vitro assessment in comparison to classical dioxin-like compounds and other polyaromatic compounds;Behnisch;Environ. Int.,2003

5. Conformations of bridged diphenyls. VI. Substituent effects and internal rotation in triply ortho-substituted diphenyl ethers;Benjamins;Can. J. Chem.,1974

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