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Predicting the Acute Toxicity of Aromatic Amines by Linear and Nonlinear Regression Methods
作者姓名:张晓龙  周志祥  刘阳华  范雪兰  李捍东  王建涛
基金项目:Supported by the Ministry of Environmental Protection of China (No. 2011467037)
摘    要:

关 键 词:线性回归方法  预测能力  急性毒性  芳香胺  QSAR模型  SVM模型  定量构效关系  多元线性回归

Predicting the Acute Toxicity of Aromatic Amines by Linear and Nonlinear Regression Methods
ZHANG Xiao-Long,ZHOU Zhi-Xiang,LIU Yang-Hua,FAN Xue-Lan,LI Han-Dong,WANG Jian-Tao.Predicting the Acute Toxicity of Aromatic Amines by Linear and Nonlinear Regression Methods[J].Chinese Journal of Structural Chemistry,2014(2):244-252.
Authors:ZHANG Xiao-Long  ZHOU Zhi-Xiang  LIU Yang-Hua  FAN Xue-Lan  LI Han-Dong  WANG Jian-Tao
Institution:[1]College of Life Science and Bioengineering, Beijing University of Technology, Beijing 100 124, China [2]Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China [3]Chinese Research Academy of Environmental Sciences, Beijing 100012, China
Abstract:
Keywords:aromatic amines  acute toxicity  quantitative structure-activity relationship(QSAR)  support vector machine (SVM)  multiple linear regression (MLR)
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