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上海药物研究所 [4]
北京大学 [1]
西安交通大学 [1]
大连化学物理研究所 [1]
过程工程研究所 [1]
四川大学 [1]
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期刊论文 [10]
学位论文 [1]
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2005 [1]
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Rational design of 5-((1H-imidazol-1-yl)methyl)quinolin-8-ol derivatives as novel bromodomain-containing protein 4 inhibitors
期刊论文
European journal of medicinal chemistry, 2018, 卷号: 163, 页码: 281-294
作者:
Xing, Jing
;
Zhang, Rukang
;
Jiang, Xiangrui
;
Hu, Tianwen
;
Wang, Xinjun
收藏
  |  
浏览/下载:93/0
  |  
提交时间:2019/01/08
Artificial intelligence in drug design
期刊论文
SCIENCE CHINA-LIFE SCIENCES, 2018, 卷号: 61, 期号: 10, 页码: 1191-1204
作者:
Zhong, Feisheng
;
Xing, Jing
;
Li, Xutong
;
Liu, Xiaohong
;
Fu, Zunyun
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2019/01/08
drug design
artificial intelligence
deep learning
QSAR
ADME/T
Impact of Drug Metabolism/Pharmacokinetics and their Relevance Upon Taxus-based Drug Development
期刊论文
CURRENT DRUG METABOLISM, 2018, 卷号: 19, 期号: 11
作者:
Wang, Ping
;
Yang, Ling
;
Hao, Da-Cheng
;
Ge, Guang-Bo
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  |  
浏览/下载:15/0
  |  
提交时间:2019/12/05
Taxus
taxane
drug metabolism
pharmacokinetics
structure ADME relationship
drug development
artificialintelligenceindrugdesign
期刊论文
sciencechinalifesciences, 2018, 卷号: 61, 期号: 10, 页码: 1191
作者:
Zhong Feisheng
;
Xing Jing
;
Li Xutong
;
Liu Xiaohong
;
Fu Zunyun
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2020/07/01
PROTEIN-PROTEIN-INTERACTION
MACHINE LEARNING-METHODS
COMPUTATIONAL METHODS
MOLECULAR-PROPERTIES
INTERACTION NETWORKS
NEURAL-NETWORKS
PREDICTION
DOCKING
DISCOVERY
PERMEABILITY
drug design
artificial intelligence
deep learning
QSAR
ADME/T
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
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  |  
浏览/下载:72/0
  |  
提交时间:2015/11/13
oral bioavailability
quantitative structure activity relationship
cytochrome P4503A4 and P4502D6
P-glycoprotein
Molecular Docking, 3D-QSAR Studies, and In Silico ADME Prediction of p-Aminosalicylic Acid Derivatives as Neuraminidase Inhibitors
期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2011, 卷号: 78, 期号: [db:dc_citation_issue], 页码: 709-717
作者:
Zhang, Jie
;
Shan, Yuanyuan
;
Pan, Xiaoyan
;
Wang, Chen
;
Xu, Wenfang
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2019/12/10
and excretion
molecular docking
absorption
p-aminosalicylic acid
neuraminidase inhibitors
distribution
metabolism
quantitative structure-activity relationship
Molecular Docking, 3D-QSAR Studies, and In Silico ADME Prediction of p-Aminosalicylic Acid Derivatives as Neuraminidase Inhibitors
期刊论文
CHEMICAL BIOLOGY & DRUG DESIGN, 2011, 卷号: 78, 期号: 4, 页码: 709-717
作者:
Zhang, Jie
;
Shan, Yuanyuan
;
Pan, Xiaoyan
;
Wang, Chen
;
Xu, Wenfang
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/23
molecular docking
quantitative structure-activity relationship
absorption
distribution
metabolism
and excretion
p-aminosalicylic
acid
neuraminidase inhibitors
Drug discovery based on classic natural products
期刊论文
Acta Pharmaceutica Sinica, 2009, 卷号: 44, 期号: 1, 页码: 11-18
作者:
HU Li-hong
;
XU Ji-qing
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2019/01/08
drug discovery
classic natural product
molecular mechanism of action
structure-activity relationship study
resource study
Recent advances in computational prediction of drug absorption and permeability in drug discovery
期刊论文
当今医药化学, 2006
Hou, Tingjun
;
Wang, Junmei
;
Zhang, Wei
;
Wang, Wei
;
Xu, Xiaojie
收藏
  |  
浏览/下载:5/0
  |  
提交时间:2015/11/16
ADME
drug adsorption
permeability
Caco-2 monolayer
blood-brain partitioning (BBB)
logBB
QSAR
HUMAN INTESTINAL-ABSORPTION
BRAIN-BARRIER PERMEATION
QUANTITATIVE STRUCTURE-ACTIVITY
MOLECULAR-SURFACE PROPERTIES
CACO-2 CELL-PERMEABILITY
SUPPORT VECTOR MACHINE
IN-SILICO PREDICTION
STRUCTURE-PROPERTY RELATIONSHIP
MARKETED ORAL-DRUGS
ADME EVALUATION
Effect of selection of molecular descriptors on the prediction of blood-brain barrier penetrating and nonpenetrating agents by statistical learning methods
期刊论文
Journal of Chemical Information and Modeling, 2005, 卷号: Vol.45 No.5, 页码: 1376-1384
作者:
Li H
;
Yap CW
;
Ung CY
;
Xue Y
;
Cao ZW
收藏
  |  
浏览/下载:6/0
  |  
提交时间:2019/02/25
SUPPORT VECTOR MACHINE
STRUCTURE-PROPERTY RELATIONSHIP
QUANTITATIVE STRUCTURE-ACTIVITY
FEATURE SUBSET-SELECTION
DRUG DISCOVERY
ADME EVALUATION
ELECTROTOPOLOGICAL STATE
EXPERIMENTAL-MODELS
GENETIC ALGORITHMS
ORGANIC SOLUTES
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