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兰州大学 [10]
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期刊论文 [5]
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chemistry;... [2]
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专题:兰州大学
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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)
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
收藏
  |  
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
QSAR Studies of PTP1B Inhibitors: 1, 2-Naphthoquinone Derivatives
期刊论文
LETTERS IN DRUG DESIGN & DISCOVERY, 2012, 卷号: 9, 期号: 10
-
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2014/12/05
Diabetes mellitus
Multiple linear regression (MLR)
1, 2-naphoquinone derivatives
Protein tyrosine phosphatase 1B (PTP1B)
Quantitative structure-activity relationships (QSAR)
Radial basis function neural networks (RBFNN)
QSAR Studies of PTP1B Inhibitors: Recent Advances and Perspectives
期刊论文
CURRENT MEDICINAL CHEMISTRY, 2012, 卷号: 19, 期号: 25
-
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2014/12/05
Diabetes mellitus
protein tyrosine phosphatase 1B inhibitors
type 2 diabetes
drug design
virtual screening
quantitative structure-activity relationships (QSAR)
3D-QSAR
comparative molecular field analysis (CoMFA)
comparative molecular similarity indices analysis (CoMSIA)
2D-QSAR
multiple linear regression (MLR)
radial basis function neural networks (RBFNN)
基于QSAR的卤代酚毒性预测及分子设计
会议论文
第十一届全国计算(机)化学学术会议
作者:
单志杰
;
黄晓艳
;
翟红林
;
李丽娜
;
张晓昀
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2015/06/25
卤代酚
毒性
QSAR
分子设计
环境污染
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
Comparative study of activities between verbascoside and rutin by docking method
会议论文
10th International Workshop on Quantitative Structure-Activity Relationships in Environmental Sciences (QSAR 2002), OTTAWA, CANADA, MAY 25-29, 2002
作者:
Gao, K
;
Fan, BT
;
El Fassia, N
;
Zakrzewska, K
;
Jia, ZJ
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/07/23
verbascoside
rutin
biological activity
telomeric fragment
docking study
Quantitative structure property relationship models for the prediction of liquid heat capacity
会议论文
10th International Workshop on Quantitative Structure-Activity Relationships in Environmental Sciences (QSAR 2002), OTTAWA, CANADA, MAY 25-29, 2002
作者:
Yao, XJ
;
Fan, BT
;
Doucet, JP
;
Panaye, A
;
Liu, MC
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2015/07/23
radial basis function networks
QSPR
molecular descriptor
heat capacity
Docking study of cistanoside C to telomeric DNA fragment
会议论文
10th International Workshop on Quantitative Structure-Activity Relationships in Environmental Sciences (QSAR 2002), OTTAWA, CANADA, MAY 25-29, 2002
作者:
Delalande, O
;
Gao, K
;
Fan, BT
;
Zakrzewska, K
;
El Fassi, N
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2015/07/23
cistanoside C
biological activity
telomeric DNA
docking
Theoretical study of fast repair of DNA damage by cistanoside C and analogs: Mechanism and docking
会议论文
9th International Workshop on Quantitative Structure-Activity Relationships in Environmental Sciences (QSAR 2000), BURGAS, BULGARIA, SEP 16-20, 2000
作者:
Sperandio, O
;
Fan, BT
;
Zakrzewska, K
;
Jia, ZJ
;
Zheng, RL
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/07/23
phenylpropanoid glycosides
cistanoside C and analogs
repair of DNA damage
mechanism
docking
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