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Chinese Academy of Sciences Institutional Repositories Grid
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化学研究所 [2]
计算技术研究所 [1]
上海药物研究所 [1]
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期刊论文 [7]
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2024 [1]
2021 [1]
2020 [1]
2016 [2]
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In silico off-target profiling for enhanced drug safety assessment
期刊论文
OAI收割
ACTA PHARMACEUTICA SINICA B, 2024, 卷号: 14, 期号: 7, 页码: 2927-2941
作者:
Liu, Jin
;
Gui, Yike
;
Rao, Jingxin
;
Sun, Jingjing
;
Wang, Gang
  |  
收藏
  |  
浏览/下载:10/0
  |  
提交时间:2024/08/22
Drug safety
Off-target prediction
Adverse drug reactions
Toxicity
Molecular representation
Artificial intelligence
Application of network link prediction in drug discovery
期刊论文
OAI收割
BMC Bioinformatics, 2021, 卷号: 22, 期号: 1
作者:
Abbas,Khushnood
;
Abbasi,Alireza
;
Dong,Shi
;
Niu,Ling
;
Yu,Laihang
  |  
收藏
  |  
浏览/下载:84/0
  |  
提交时间:2021/05/17
Data-driven drug discovery
Network link prediction
Poly-pharmacy
Poly-pharmacy side effects prediction
Drug-target prediction
Caffeic Acid Phenethyl Ester Effects: In Silico Study of its Osteoimmunological Mechanisms
期刊论文
OAI收割
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
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2020/06/22
Drug target
drug-protein interaction
in silico prediction
osteoimmunological
PASS prediction
CAPE
Drug-target interaction prediction: databases, web servers and computational models
期刊论文
OAI收割
BRIEFINGS IN BIOINFORMATICS, 2016, 卷号: 17, 期号: 4, 页码: 696-712
作者:
Chen, Xing
;
Yan, Chenggang Clarence
;
Zhang, Xiaotian
;
Zhang, Xu
;
Dai, Feng
  |  
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/12/13
drug-target interactions prediction
drug discovery
computational models
biological networks
machine learning
Pred-binding: large-scale protein-ligand binding affinity prediction
期刊论文
iSwitch采集
Journal of enzyme inhibition and medicinal chemistry, 2016, 卷号: 31, 期号: 6, 页码: 1443-1450
作者:
Shar, Piar Ali
;
Tao, Weiyang
;
Gao, Shuo
;
Huang, Chao
;
Li, Bohui
收藏
  |  
浏览/下载:64/0
  |  
提交时间:2019/05/09
Binding affinity prediction
Drug target interaction
Random forest
Support vector machine
iDrug: a web-accessible and interactive drug discovery and design platform
期刊论文
OAI收割
JOURNAL OF CHEMINFORMATICS, 2014, 卷号: 6
作者:
Wang, Xia
;
Chen, Haipeng
;
Yang, Feng
;
Gong, Jiayu
;
Li, Shiliang
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2019/04/09
Online Drug Design Platform
Cavity Detection
Pharmacophore Search
3d Similarity Calculation
Target Prediction
Finding multiple target optimal intervention in disease-related molecular network
期刊论文
OAI收割
MOLECULAR SYSTEMS BIOLOGY, 2008, 卷号: 4
作者:
Yang, Kun
;
Bai, Hongjun
;
Qi Ouyang
;
Lai, Luhua
;
Tang, Chao
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2019/04/09
Anti-inflammatory
Arachidonic Acid Metabolic Network
Drug Efficacy Prediction
Multiple Target Drug Design
Network-based Drug Design