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科研机构
大连化学物理研究所 [16]
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期刊论文 [15]
会议论文 [1]
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2017 [1]
2014 [1]
2012 [4]
2011 [4]
2010 [1]
2008 [1]
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物理化学 [2]
分析化学 [1]
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专题:大连化学物理研究所
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Discovery and validation of potential urinary biomarkers for bladder cancer diagnosis using a pseudotargeted GC-MS metabolomics method
期刊论文
ONCOTARGET, 2017, 卷号: 8, 期号: 13, 页码: 20719-20728
作者:
Xu, Chuanliang
;
Zhou, Yang
;
Song, Ruixiang
;
Ma, Chong
;
Sun, Yinghao
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/06/20
Metabolomics
Gas Chromatography-mass Spectrometry
Biomarker
Urine
Bladder Cancer
Exploring details about structure requirements based on novel CGRP receptor antagonists urethanamide, aspartate, succinate and pyridine derivatives by in silico methods
期刊论文
journal of molecular structure, 2014, 卷号: 1074, 页码: 294-301
作者:
Li, Yan
;
He, Haoran
;
Wang, Jinghui
;
Han, Chunxiao
;
Feng, Jiaqi
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2015/11/17
Migraine
CGRP receptor antagonist
3D-QSAR
Molecular docking
Independent component analysis in non-hypothesis driven metabolomics: Improvement of pattern discovery and simplification of biological data interpretation demonstrated with plasma samples of exercising humans
期刊论文
journal of chromatography b-analytical technologies in the biomedical and life sciences, 2012, 卷号: 910, 页码: 156-162
作者:
Li, Xiang
;
Hansen, Jakob
;
Zhao, Xinjie
;
Lu, Xin
;
Weigert, Cora
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2013/10/11
Independent component analysis
Metabolomics
Exercise
Metabolic profiling
GC-MS
A Novel Chemometric Method for the Prediction of Human Oral Bioavailability
期刊论文
international journal of molecular sciences, 2012, 卷号: 13, 期号: 6, 页码: 6964-6982
作者:
Xu, Xue
;
Zhang, Wuxia
;
Huang, Chao
;
Li, Yan
;
Yu, Hua
收藏
  |  
浏览/下载:71/0
  |  
提交时间:2015/11/13
oral bioavailability
quantitative structure activity relationship
cytochrome P4503A4 and P4502D6
P-glycoprotein
Structure Requirements for 4-Aryl-4H-Chromenes as Apoptosis Inducers Using 3D QSAR Methods and Docking Studies
期刊论文
asian journal of chemistry, 2012, 卷号: 24, 期号: 6, 页码: 2450-2460
作者:
Liu, Zhen
;
Li, Yan
;
Ren, Hong
;
Zhang, Shuwei
;
Wang, Yonghua
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2013/10/11
Chromenes
Apoptosis inducer
CoMFA
CoMSIA
Caspase-3
Tubulin
Probing the structural requirements of A-type Aurora kinase inhibitors using 3D-QSAR and molecular docking analysis
期刊论文
journal of molecular modeling, 2012, 卷号: 18, 期号: 3, 页码: 1107-1122
作者:
Zhang, Hui-xiao
;
Li, Yan
;
Wang, Xia
;
Wang, Yong-hua
收藏
  |  
浏览/下载:13/0
  |  
提交时间:2015/11/12
Aurora-A
Inhibitor
3D-QSAR
CoMFA
CoMSIA
Molecular docking
A method for handling metabonomics data from liquid chromatography/mass spectrometry: combinational use of support vector machine recursive feature elimination, genetic algorithm and random forest for feature selection
期刊论文
metabolomics, 2011, 卷号: 7, 期号: 4, 页码: 549-558
作者:
Lin, Xiaohui
;
Wang, Quancai
;
Yin, Peiyuan
;
Tang, Liang
;
Tan, Yexiong
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2015/11/12
Support vector machine
Genetic algorithm
Random forest
Liver diseases
Metabonomics
Metabolomics
Insight into the Structural Requirements of Benzothiadiazine Scaffold-Based Derivatives as Hepatitis C Virus NS5B Polymerase Inhibitors Using 3D-QSAR, Molecular Docking and Molecular Dynamics
期刊论文
current medicinal chemistry, 2011, 卷号: 18, 期号: 26, 页码: 4019-4028
作者:
Zhang, H-X.
;
Li, Y.
;
Wang, X.
;
Xiao, Z-T.
;
Wang, Y-H.
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2015/11/12
HCV NS5B
benzothiadiazine scaffold-based inhibitors
3D-QSAR
CoMFA
CoMSIA
molecular docking
molecular dynamics
Quantum and quasiclassical state-to-state dynamics of the NH plus H reaction: Competition between abstraction and exchange channels
期刊论文
journal of chemical physics, 2011, 卷号: 134, 期号: 13
作者:
Li, Zheng
;
Xie, Changjian
;
Jiang, Bin
;
Xie, Daiqian
;
Liu, Lan
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2015/11/12
A Simple Two-Level Bayesian Network and its Application in the HPLC-MS Data
会议论文
37th international symposium on high performance liquid phase separations and related techniques, 大连, 2011-10-8
PingMa
;
林晓惠
;
尹沛源
;
许国旺
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2012/07/09
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