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兰州大学 [7]
过程工程研究所 [1]
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期刊论文 [8]
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2014 [1]
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computer s... [4]
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Toxicity of ionic liquids: Database and prediction via quantitative structure-activity relationship method
期刊论文
JOURNAL OF HAZARDOUS MATERIALS, 2014, 卷号: 278, 期号: AUG., 页码: 320-329
作者:
Zhao, Yongsheng
;
Zhao, Jihong
;
Huang, Ying
;
Zhou, Qing
;
Zhang, Xiangping
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2014/09/30
QSAR
Multiple linear regression (MLR)
Support vector machine (SVM)
Toxicity
Ionic liquids
Prediction of CCR5 receptor binding affinity of substituted 1-(3,3-diphenylpropyl)-piperidinyl amides and ureas based on the heuristic method, support vector machine and projection pursuit regression
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2009, 卷号: 44, 期号: 1
-
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2014/12/05
QSAR
LFER
CCR5
HM
SVM
PPR
Study of Nematic Transition Temperatures in Themotropic Liquid Crystal Using Heuristic Method and Radial Basis Function Neural Networks and Support Vector Machine
期刊论文
QSAR & COMBINATORIAL SCIENCE, 2008, 卷号: 27, 期号: 11-12
-
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2014/12/05
Heuristic method (HM)
Liquid crystal (LC)
Quantitative structure-property relationships (QSPRs)
Radial basis function neural networks (RBFNNs)
Support vector machine (SVM)
Prediction of atmospheric degradation data for POPs by gene expression programming
期刊论文
SAR AND QSAR IN ENVIRONMENTAL RESEARCH, 2008, 卷号: 19, 期号: 5-6
-
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2014/12/05
gene expression programming (GEP)
QSAR
heuristic method (HM)
Persistent organic pollutant (POP)
QSAR method for prediction of protein-peptide binding affinity: Application to MHC class I molecule HLA-A*0201
期刊论文
JOURNAL OF MOLECULAR GRAPHICS & MODELLING, 2007, 卷号: 26, 期号: 1
-
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2014/12/05
HLA-A*0201
binding affinity
amino acids property
QSAR
heuristic method (HM)
support vector machine (SVM)
Quantitative structure-activity relationship models for prediction of sensory irritants (logRD(50)) of volatile organic chemicals
期刊论文
CHEMOSPHERE, 2006, 卷号: 63, 期号: 7
-
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2014/12/05
sensory irritants
the heuristic method (HM)
linear discriminant analysis (LDA)
support vector machine (SVM)
radial basis function neural networks (RNFNN)
QSAR/QSPR
QSPR study of fluorescence wavelengths (lambda(ex)/lambda(em)) based on the heuristic method and radial basis function neural networks
期刊论文
QSAR & COMBINATORIAL SCIENCE, 2006, 卷号: 25, 期号: 2
-
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2014/12/05
QSPR
HM
RBFNN
fluorescence wavelengths (lambda(ex)/lambda(em))
fluorescent probe
Prediction of standard Gibbs energies of the transfer of peptide anions from aqueous solution to nitrobenzene based on support vector machine and the heuristic method
期刊论文
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2006, 卷号: 20, 期号: 1, 页码: 1-11
作者:
Feng, L
;
Zhang, XY
;
Zhang, HX
;
Zhang, RS
;
Liu, MC
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  |  
浏览/下载:2/0
  |  
提交时间:2015/12/15
HM
QSPR
peptide
SVM
Delta G(theta)
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