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上海药物研究所 [14]
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新疆理化技术研究所 [11]
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期刊论文 [70]
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CSConv2d: A 2-D Structural Convolution Neural Network with a Channel and Spatial Attention Mechanism for Protein-Ligand Binding Affinity Prediction
期刊论文
BIOMOLECULES, 2021, 卷号: 11, 期号: 5, 页码: 9
作者:
Wang, Xun
;
Liu, Dayan
;
Zhu, Jinfu
;
Rodriguez-Paton, Alfonso
;
Song, Tao
收藏
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浏览/下载:20/0
  |  
提交时间:2021/12/01
protein-ligand binding affinity
2-D structural CNN
spatial attention mechanism
Application of network link prediction in drug discovery
期刊论文
BMC Bioinformatics, 2021, 卷号: 22, 期号: 1
作者:
Abbas,Khushnood
;
Abbasi,Alireza
;
Dong,Shi
;
Niu,Ling
;
Yu,Laihang
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  |  
浏览/下载:25/0
  |  
提交时间:2021/05/17
Data-driven drug discovery
Network link prediction
Poly-pharmacy
Poly-pharmacy side effects prediction
Drug-target prediction
DeepDRK: a deep learning framework for drug repurposing through kernel-based multi-omics integration
期刊论文
BRIEFINGS IN BIOINFORMATICS, 2021, 卷号: 22, 期号: 5
作者:
Wang, Yongcui
;
Yang, Yingxi
;
Chen, Shilong
;
Wang, Jiguang
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  |  
浏览/下载:30/0
  |  
提交时间:2021/11/18
drug repurposing
multi-omics data sources
kernel-based data integration
machine learning
cancer precision medicine
A Novel Method to Predict Drug-Target Interactions Based on Large-Scale Graph Representation Learning
期刊论文
CANCERS, 2021, 卷号: 13, 期号: 9, 页码: 1-12
作者:
Zhao, BW (Zhao, Bo-Wei) 1 , 2 , 3
;
You, ZH (You, Zhu-Hong) 1 , 2 , 3
;
Hu, L (Hu, Lun) 1 , 2 , 3
;
Guo, ZH (Guo, Zhen-Hao) 1 , 2 , 3
;
Wang, L (Wang, Lei) 1 , 2 , 3
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  |  
浏览/下载:34/0
  |  
提交时间:2021/07/27
drug discoverydrug-target interactionslarge-scale graph representation learningcomputational method
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments
期刊论文
BIOINFORMATICS, 2020, 卷号: 36, 期号: 16, 页码: 4406-4414
作者:
Chen, Lifan
;
Tan, Xiaoqin
;
Wang, Dingyan
;
Zhong, Feisheng
;
Liu, Xiaohong
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  |  
浏览/下载:17/0
  |  
提交时间:2021/05/24
A Network-Based Approach to Explore the Mechanisms of Uncaria Alkaloids in Treating Hypertension and Alleviating Alzheimer's Disease
期刊论文
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES, 2020, 卷号: 21, 期号: 5, 页码: 19
作者:
Wu, Wenyong
;
Zhang, Zijia
;
Li, Feifei
;
Deng, Yanping
;
Lei, Min
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  |  
浏览/下载:32/0
  |  
提交时间:2020/07/01
Uncaria alkaloids
network pharmacology
hypertension
Alzheimer's disease
butyrylcholinesterase
molecular docking
Caffeic Acid Phenethyl Ester Effects: In Silico Study of its Osteoimmunological Mechanisms
期刊论文
LETTERS IN DRUG DESIGN & DISCOVERY, 2020, 卷号: 17, 期号: 5, 页码: 556-562
作者:
Zhao, Yuhao
;
Pang, Xiaokun
;
Nepal, Akriti
;
Jiang, Xincan
;
Xu, Xiaoxin
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  |  
浏览/下载:20/0
  |  
提交时间:2020/06/22
Drug target
drug-protein interaction
in silico prediction
osteoimmunological
PASS prediction
CAPE
A deep learning-based method for drug-target interaction prediction based on long short-term memory neural network
期刊论文
BMC MEDICAL INFORMATICS AND DECISION MAKING, 2020, 卷号: 20, 期号: 1, 页码: 1-9
作者:
Wang, YB (Wang, Yan-Bin)[ 1,2 ]
;
You, ZH (You, Zhu-Hong)[ 1 ]
;
Yang, S (Yang, Shan)[ 1 ]
;
Yi, HC (Yi, Hai-Cheng)[ 1,2 ]
;
Chen, ZH (Chen, Zhan-Heng)[ 1,2 ]
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2020/04/21
Drug-target
Deep learning
Legendre moment
Long short-term memory
MIPDH: A Novel Computational Model for Predicting microRNA-mRNA Interactions by DeepWalk on a Heterogeneous Network
期刊论文
ACS OMEGA, 2020, 卷号: 5, 期号: 28, 页码: 17022-17032
作者:
Wong, L (Wong, Leon)[ 1,2,3 ]
;
You, ZH (You, Zhu-Hong)[ 1,2,3 ]
;
Guo, ZH (Guo, Zhen-Hao)[ 1,2,3 ]
;
Yi, HC (Yi, Hai-Cheng)[ 1,2,3 ]
;
Chen, ZH (Chen, Zhan-Heng)[ 1,2,3 ]
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2020/09/09
Prediction of Drug-Target Interactions From Multi-Molecular Network Based on Deep Walk Embedding Model
期刊论文
FRONTIERS IN BIOENGINEERING AND BIOTECHNOLOGY, 2020, 卷号: 8, 期号: 6, 页码: 1-9
作者:
Chen, ZH (Chen, Zhan-Heng)[ 1,2 ]
;
You, ZH (You, Zhu-Hong)[ 1,2 ]
;
Guo, ZH (Guo, Zhen-Hao)[ 1,2 ]
;
Yi, HC (Yi, Hai-Cheng)[ 1,2 ]
;
Luo, GX (Luo, Gong-Xu)[ 1,2 ]
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2020/09/09
drug-target interactions
molecular association network
attribute feature
behavior feature
random forest
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