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兰州大学 [7]
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期刊论文 [6]
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Combined Ligand/Structure-Based Virtual Screening and Molecular Dynamics Simulations of Steroidal Androgen Receptor Antagonists
期刊论文
BIOMED RESEARCH INTERNATIONAL, 2017
作者:
Wang, YW
;
Han, R
;
Zhang, HM
;
Liu, HL
;
Li, JZ
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2017/05/09
Structural requirements of 3-carboxyl-4(1H)-quinolones as potential antimalarials from 2D and 3D QSAR analysis
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2013, 卷号: 44, 页码: 266-277
作者:
Li, JZ
;
Li, SY
;
Bai, CL
;
Liu, HX
;
Gramatica, P
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/12/29
4(1H)-quinolones
Antimalarial
MLR
CoMFA
CoMSIA
Structure-Activity Relationship Analysis of the Thermal Stabilities of Nitroaromatic Compounds Following Different Decomposition Mechanisms
期刊论文
MOLECULAR INFORMATICS, 2013, 卷号: 32, 期号: 2, 页码: 193-202
作者:
Li, JZ
;
Liu, HX
;
Huo, X
;
Gramatica, P
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/12/29
Quantitative StructureActivity Relationship (QSAR)
Heat of decomposition
Nitroaromatic compounds
External validation parameters
QSAR classification models for the screening of the endocrine-disrupting activity of perfluorinated compounds
期刊论文
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2012, 卷号: 23, 期号: 3-4, 页码: 207-220
作者:
Kovarich, S
;
Papa, E
;
Li, J
;
Gramatica, P
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2015/12/29
perfluorinated compounds
PFCs
endocrine disruption
QSAR
classification
T4-TTR competition
Quantitative structure-activity relationship analysis of a novel series of chemicals antagonizing WT and MT AR
期刊论文
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2011, 卷号: 107, 期号: 2, 页码: 283-289
作者:
Huo, X
;
Li, JZ
;
Gramatica, P
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/12/29
Prostate cancer
Drug resistance
WT AR
MT AR
Antagonist
QSAR
Collaborative QSAR analysis of Ames mutagenicity
会议论文
241st National Meeting and Exposition of the American-Chemical-Society (ACS), Anaheim, CA, MAR 27-31, 2011
作者:
Muratov, E
;
Fourches, D
;
Artemenko, A
;
Kuz'min, V
;
Zhao, GY
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  |  
浏览/下载:5/0
  |  
提交时间:2015/07/23
The Applications of Machine Learning Algorithms in the Modeling of Estrogen-Like Chemicals
期刊论文
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2009, 卷号: 12, 期号: 5, 页码: 490-496
作者:
Liu, HX
;
Yao, XJ
;
Gramatica, P
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/12/29
Estrogen-like chemicals
quantitative structure-activity relationships
classification
regression
molecular descriptors
validation
support vector machines
artificial neural networks
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