QSTR Studies on Acute Toxicity and Mutagenicity of Halogenated Benzenes

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	QSTR Studies on Acute Toxicity and Mutagenicity of Halogenated Benzenes
	Zhang, XL ; Zhou, ZX ; Fan, XL ; Liu, YH ; Li, HD ; Wang, JT
刊名	ASIAN JOURNAL OF CHEMISTRY
	2014
卷号	26 期号:9 页码:2707
关键词	Halogenated benzenes Quantitative structure toxicity relationship Multiple linear regression Mutagenicity
ISSN号	0970-7077
通讯作者	Zhou, ZX (reprint author), Beijing Univ Technol, Coll Life Sci & Bioengn, Beijing 100124, Peoples R China.
中文摘要	In this paper, a quantitative structure toxicity relationship study was performed for the prediction of the acute toxicity and mutagenicity of halogenated benzenes. The molecular descriptors of halogenated benzenes have been calculated with semi-empirical AM1 and E-dragon methods and both quantitative structure toxicity relationship models for mice via the oral LD50 model and the S. typhimurium (TA98 + S9) mutagenic model of halogenated benzenes were developed using multiple linear regression (MLR) analysis. The validation results obtained from the test set indicate that the proposed models are robust and satisfactory.
资助信息	Ministry of Environmental Protection of China [2011467037]
语种	英语
公开日期	2015-04-14
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/58937]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Zhang, XL,Zhou, ZX,Fan, XL,et al. QSTR Studies on Acute Toxicity and Mutagenicity of Halogenated Benzenes[J]. ASIAN JOURNAL OF CHEMISTRY,2014,26(9):2707.
APA	Zhang, XL,Zhou, ZX,Fan, XL,Liu, YH,Li, HD,&Wang, JT.(2014).QSTR Studies on Acute Toxicity and Mutagenicity of Halogenated Benzenes.ASIAN JOURNAL OF CHEMISTRY,26(9),2707.
MLA	Zhang, XL,et al."QSTR Studies on Acute Toxicity and Mutagenicity of Halogenated Benzenes".ASIAN JOURNAL OF CHEMISTRY 26.9(2014):2707.