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兰州大学 [35]
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期刊论文 [34]
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chemistry [22]
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专题:兰州大学
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Exploring the binding mechanism of Heteroaryldihydropyrimidines and Hepatitis B Virus capsid combined 3D-QSAR and molecular dynamics
期刊论文
ANTIVIRAL RESEARCH, 2017, 卷号: 137, 页码: 151-164
作者:
Tu, J
;
Li, JJ
;
Shan, ZJ
;
Zhai, HL
收藏
  |  
浏览/下载:48/0
  |  
提交时间:2017/05/08
Heteroaryldihydropyrimidines (HAPs)
HBV capsid protein
Quantitative structure-activity relationship
Molecular dynamics
Binding free energy
QSAR models for predicting the toxicity of halogenated phenols to Tetrahymena
期刊论文
TOXICOLOGICAL AND ENVIRONMENTAL CHEMISTRY, 2016, 卷号: 99, 期号: 2, 页码: 273-284
作者:
Chen, Xiao Hui
;
Shan, Zhi Jie
;
Zhai, Hong Lin
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2017/01/12
Halogenated phenols
Tetrahymena
quantitative structure-activity relationship
molecular design
Synthesis, Biological Activities, and Quantitative Structure-Activity Relationship (QSAR) Study of Novel Camptothecin Analogues
期刊论文
MOLECULES, 2015, 卷号: 20, 期号: 5, 页码: 8634-8653
作者:
Wu, D
;
Zhang, SY
;
Liu, YQ
;
Wu, XB
;
Zhu, GX
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/01/11
camptothecin
synthesis
biological activity
SAR analysis
CoMFA
A Combined Quantitative Structure-Activity Relationship Research of Quinolinone Derivatives as Androgen Receptor Antagonists
期刊论文
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2015, 卷号: 18, 期号: 9, 页码: 834-845
作者:
Wang, YW
;
Bai, F
;
Cao, H
;
Li, JZ
;
Liu, HX
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2017/01/11
Androgen receptor (AR)
comparative molecular field analysis (CoMFA)
prostate cancer (PCa)
comparative molecular similarity indices analysis (CoMSIA)
multiple linear regression (MLR)
Synthesis and quantitative structure-activity relationship (QSAR) study of C7-oxime ester derivatives of obacunone as insecticidal agents
期刊论文
RSC ADVANCES, 2015, 卷号: 5, 期号: 40, 页码: 31700-31707
作者:
Yu, X
;
Shi, DF
;
Zhi, XY
;
Li, Q
;
Yao, XJ
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2017/01/11
Quantitative structure activity relationship indanylacetic acid derivatives models based on a novel machine learning method
期刊论文
Journal of Chemical and Pharmaceutical Research, 2014, 卷号: 6, 期号: 6, 页码: 2549-2552
作者:
Zhang, Paijian
;
Si, Hongzong
;
Duan, Yun Bo
;
Sun, Gengxin
;
Zhang, Kejun
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  |  
浏览/下载:3/0
  |  
提交时间:2016/10/20
Acid derivative
Linear modeling
Machine learning methods
Molecular descriptors
Peroxisome proliferator-activated receptor
QSAR
Quantitative structure activity relationship
Quantitative structure-activity relationships
Semisynthesis and quantitative structure-activity relationship (QSAR) study of some cholesterol-based hydrazone derivatives as insecticidal agents
期刊论文
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, 2013, 卷号: 23, 期号: 17
-
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  |  
浏览/下载:4/0
  |  
提交时间:2014/12/05
Cholesterol
Insecticidal activity
Botanical insecticide
Structural modification
QSAR
Mythimna separata (Walker)
Synthesis and Quantitative Structure-Activity Relationship (QSAR) Study of Novel N-Arylsulfonyl-3-acylindole Arylcarbonyl Hydrazone Derivatives as Nematicidal Agents
期刊论文
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2013, 卷号: 61, 期号: 24
-
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2014/12/05
indole
hydrazone
structural modification
botanical pesticide
nematicidal activity
QSAR
Bursaphelenchus xylophilus
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
Synthesis and Quantitative Structure-Activity Relationship (QSAR) Study of Novel 4-Acyloxypodophyllotoxin Derivatives Modified in the A and C Rings as Insecticidal Agents
期刊论文
JOURNAL OF AGRICULTURAL AND FOOD CHEMISTRY, 2013, 卷号: 61, 期号: 3
-
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2014/12/05
podophyllotoxin
acyloxy
A and C ring modification
botanical insecticide
insecticidal activity
QSAR
Mythimna separata Walker
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