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清华大学 [4]
中国医学科学院 北京... [3]
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上海药物研究所 [2]
中南大学 [2]
武汉大学 [2]
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期刊论文 [19]
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pharmacolo... [1]
toxicology [1]
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Herb-Induced Liver Injury: Phylogenetic Relationship, Structure-Toxicity Relationship, and Herb-Ingredient Network Analysis
期刊论文
2019, 卷号: 20, 期号: 15
作者:
He Shuaibing
;
Zhang Chenyang
;
Zhou Ping
;
Zhang Xuelian
;
Ye Tianyuan
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2020/01/03
HILI
hepatotoxicity
herb
herb-ingredient network
mechanism
phylogenetic tree
structure-toxicity relationship
Predicting the toxicities of metal oxide nanoparticles based on support vector regression with a residual bootstrapping method
期刊论文
TOXICOLOGY MECHANISMS AND METHODS, 2018, 卷号: 28, 页码: 440-449
作者:
Zhai, Xiuyun[1]
;
Chen, Mingtong[2]
;
Lu, Wencong[3]
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2019/04/24
Quantitative structure-activity relationship
support vector regression
residual bootstrapping
metal oxide nanoparticles
toxicity
A systematic toxicity evaluation of cephalosporins via transcriptomics in zebrafish and in silico ADMET studies
期刊论文
2018, 卷号: 116, 期号: Pt B, 页码: 264-271
作者:
Han, Ying
;
Zhang, Jingpu
;
Hu, Changqin
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  |  
浏览/下载:4/0
  |  
提交时间:2020/01/03
Cephalosporins
Differentially expressed genes
Transcriptomics
Structure-toxicity relationship
Docking
Toxic effect prediction of cefatirizine amidine sodium and its impurities by structure-toxicity relationship of cephalosporins
期刊论文
2018, 卷号: 46, 页码: 137-147
作者:
Qian, Jianqin
;
Han, Ying
;
Li, Jin
;
Zhang, Jingpu
;
Hu, Changqin
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2020/01/03
Cephalosporins
Impurity
Zebrafish embryo
Structure-toxicity relationship
Microarray
Gene expression
QSTR Studies on Acute Toxicity and Mutagenicity of Halogenated Benzenes
期刊论文
ASIAN JOURNAL OF CHEMISTRY, 2014, 卷号: 26, 期号: 9, 页码: 2707
Zhang, XL
;
Zhou, ZX
;
Fan, XL
;
Liu, YH
;
Li, HD
;
Wang, JT
收藏
  |  
浏览/下载:98/0
  |  
提交时间:2015/04/14
Halogenated benzenes
Quantitative structure toxicity relationship
Multiple linear regression
Mutagenicity
Predicting the Acute Toxicity of Aromatic Amines by Linear and Nonlinear Regression Methods
期刊论文
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2014, 卷号: 33, 期号: 2, 页码: 244
Zhang, XL
;
Zhou, ZX
;
Liu, YH
;
Fan, XL
;
Li, HD
;
Wang, JT
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2015/04/14
aromatic amines
acute toxicity
quantitative structure-activity relationship (QSAR)
support vector machine (SVM)
multiple linear regression (MLR)
In silico toxicity prediction by support vector machine and SMILES representation-based string kernel
期刊论文
SAR and QSAR in environmental research, 2012, 卷号: 23, 期号: 1-2, 页码: 141-153
作者:
Cao, D. -S.
;
Zhao, J. -C.
;
Yang, Y. -N.
;
Zhao, C. -X.
;
Yan, J.
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  |  
浏览/下载:4/0
  |  
提交时间:2019/12/03
toxicity prediction
structure-toxicity relationship (STR)
support vector machine (SVM)
simplified molecular input line entry specification (SMILES)
string kernel
Computer‐aided prediction of toxicity with substructure pattern and random forest
期刊论文
Journal of Chemometrics, 2012, 卷号: 26, 期号: 1-2, 页码: 7-15
作者:
Cao, Dong-Sheng
;
Yang, Yan-Ning
;
Zhao, Jian-Chao
;
Yan, Jun
;
Liu, Shao
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/03
computational toxicology
structure–toxicity relationship
substructure patterns
random forest
fingerprints
Computer-aided prediction of toxicity with substructure pattern and random forest
期刊论文
JOURNAL OF CHEMOMETRICS, 2012, 卷号: 26, 期号: 1
作者:
Cao, Dong-Sheng
;
Yang, Yan-Ning
;
Zhao, Jian-Chao
;
Yan, Jun
;
Liu, Shao
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2019/12/05
computational toxicology
structure-toxicity relationship
substructure patterns
random forest
fingerprints
In silico toxicity prediction by support vector machine and SMILES representation-based string kernel
期刊论文
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2012, 卷号: 23, 期号: 1-2
作者:
Cao, D. -S.
;
Zhao, J. -C.
;
Yang, Y. -N.
;
Zhao, C. -X.
;
Yan, J.
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2019/12/05
toxicity prediction
structure-toxicity relationship (STR)
support vector machine (SVM)
simplified molecular input line entry specification (SMILES)
string kernel
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