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上海大学 [2]
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大连理工大学 [1]
上海药物研究所 [1]
中国医学科学院 北京... [1]
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期刊论文 [5]
会议论文 [1]
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A Computational Bipartite Graph-Based Drug Repurposing Method
期刊论文
2019, 卷号: 1903, 页码: 115-127
作者:
Zheng Si
;
Ma Hetong
;
Wang Jiayang
;
Li Jiao
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2020/01/03
Bipartite graph
Chemical structure
Drug repurposing
Drug target
Pairwise similarity
Identification of Drug-Drug Interactions Using Chemical Interactions
期刊论文
CURRENT BIOINFORMATICS, 2017, 卷号: 12, 页码: 526-534
作者:
Chen, Lei[1]
;
Chu, Chen[2]
;
Zhang, Yu-Hang[3]
;
Zheng, Mingyue[4]
;
Zhu, LiuCun[5]
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2019/04/24
Drug-drug interaction
chemical interaction
chemical structure similarity
nearest neighbor algorithm
majority voting
imbalanced dataset
Identification of Drug-Drug Interactions Using Chemical Interactions
期刊论文
CURRENT BIOINFORMATICS, 2017, 卷号: 12, 期号: 6, 页码: 526-534
作者:
Chen, Lei
;
Chu, Chen
;
Zhang, Yu-Hang
;
Zheng, Mingyue
;
Zhu, LiuCun
收藏
  |  
浏览/下载:27/0
  |  
提交时间:2019/01/08
Drug-drug interaction
chemical interaction
chemical structure similarity
nearest neighbor algorithm
majority voting
imbalanced dataset
Prediction of Bioactive Compound Pathways Using Chemical Interaction and Structural Information
期刊论文
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2016, 卷号: 19, 页码: 161-169
作者:
Cheng, Shiwen[1]
;
Zhu, Changming[2]
;
Chu, Chen[3]
;
Huang, Tao[4]
;
Kong, Xiangyin[5]
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/04/26
Bioactive compound
chemical-chemical interaction
chemical structure similarity
SMILES
SABRE: Ligand/Structure-Based Virtual Screening Approach Using Consensus Molecular-Shape Pattern Recognition
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 卷号: 54, 页码: 338-346
作者:
Wei, Ning-Ning
;
Hamza, Adel
收藏
  |  
浏览/下载:7/0
  |  
提交时间:2019/12/09
Active compounds
Binding pockets
Chemical similarity
Linear combinations
Molecular shapes
Receptor binding site
Structural diversity
Virtual Screening, Algorithms
Binding sites
Data fusion
Ligands
Molecules
Pattern recognition, Three dimensional, ligand
protein, algorithm
automated pattern recognition
binding site
biology
chemical database
chemical structure
chemical structure
chemistry
computer interface
computer program
drug database
drug development
drug screening
human
metabolism
procedures
statistics and numerical data
validation study, Algorithms
Binding Sites
Computational Biology
Databases, Chemical
Databases, Pharmaceutical
Drug Discovery
Drug Evaluation, Preclinical
Humans
Ligands
Models, Molecular
Molecular Structure
Pattern Recognition, Automated
Proteins
Software
User-Computer Interface
Chemical molecules search based on graph similarity measure
会议论文
作者:
Du, Hui
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  |  
浏览/下载:2/0
  |  
提交时间:2019/12/10
Chemical molecules
Connected subgraphs
Graph similarity measures
Index structure
Search Algorithms
Search-based
Similarity scores
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