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期刊论文 [36]
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Facing small and biased data dilemma in drug discovery with enhanced federated learning approaches
期刊论文
SCIENCE CHINA-LIFE SCIENCES, 2021, 页码: 11
作者:
Xiong, Zhaoping
;
Cheng, Ziqiang
;
Lin, Xinyuan
;
Xu, Chi
;
Liu, Xiaohong
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2021/11/04
federated learning
drug discovery
FedAMP
Non-IID data
Design, Synthesis, and Biological Evaluation of Novel Pyrimido[4,5-b]indole Derivatives Against Gram-Negative Multidrug-Resistant Pathogens
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64, 期号: 12, 页码: 8644-8665
作者:
Kong, Qidi
;
Pan, Wei
;
Xu, Heng
;
Xue, Yaru
;
Guo, Bin
收藏
  |  
浏览/下载:38/0
  |  
提交时间:2021/08/17
Design and synthesis of novel desfluoroquinolone-aminopyrimidine hybrids as potent anti-MRSA agents with low hERG activity
期刊论文
BIOORGANIC CHEMISTRY, 2020, 卷号: 103, 页码: 10
作者:
Song, Runzhe
;
Wang, Yue
;
Wang, Minghui
;
Gao, Ruixuan
;
Yang, Teng
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2020/12/24
Desfluoroquinolone
Aminopyrimidine
Hybrids
Anti-MRSA
hERG activity
Structure-Based Discovery and Development of a Series of Potent and Selective Bromodomain and Extra-Terminal Protein Inhibitors
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 62, 期号: 18, 页码: 8642-8663
作者:
Hu, Jianping
;
Tian, Chang-Qing
;
Damaneh, Mohammadali Soleimani
;
Li, Yanlian
;
Cao, Danyan
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  |  
浏览/下载:11/0
  |  
提交时间:2020/07/01
Discovery and Development of a Series of Pyrazolo[3,4-d]pyridazinone Compounds as the Novel Covalent Fibroblast Growth Factor Receptor Inhibitors by the Rational Drug Design
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 62, 期号: 16, 页码: 7473-7488
作者:
Wang, Yulan
;
Dai, Yang
;
Wu, Xiaowei
;
Li, Fei
;
Liu, Bo
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  |  
浏览/下载:18/0
  |  
提交时间:2020/07/01
Discovery of 3,4,6-Trisubstituted Piperidine Derivatives as Orally Active, Low hERG Blocking Akt Inhibitors via Conformational Restriction and Structure-Based Design
期刊论文
JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 62, 期号: 15, 页码: 7264-7288
作者:
Dong, Xiaowu
;
Zhan, Wenhu
;
Zhao, Mengting
;
Che, Jinxin
;
Dai, Xiaoyang
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  |  
浏览/下载:29/0
  |  
提交时间:2020/07/01
Discovery of (R)-5-((5-(1-methyl-1H-pyrazol-4-yl)-4-(methylamino) pyrimidin-2-yl)amino)-3-(piperidin-3-yloxy)picolinonitrile, a novel CHK1 inhibitor for hematologic malignancies
期刊论文
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 卷号: 173, 页码: 44-62
作者:
Tong, Lexian
;
Song, Pinrao
;
Jiang, Kailong
;
Xu, Lei
;
Jin, Tingting
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  |  
浏览/下载:19/0
  |  
提交时间:2020/07/01
CHK1 kinase inhibitor
Selectivity
Monotherapy
Hematologic malignancies
hERG optimizations of IMB1603, discovery of alternative benzothiazinones as new antitubercular agents
期刊论文
2019, 卷号: 179, 页码: 208-217
作者:
Lv Kai
;
Wang Apeng
;
Tao Zeyu
;
Fu Lei
;
Liu Hongtao
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2020/01/03
Antitubercular agents
Benzothiazinones
Structure-activity relationships
hERG
Design, synthesis and antimycobacterial activity of less lipophilic Q203 derivatives containing alkaline fused ring moieties
期刊论文
2019, 卷号: 27, 期号: 5, 页码: 813-821
作者:
Wang, Apeng
;
Wang, Hongjian
;
Geng, Yunhe
;
Fu, Lei
;
Gu, Jian
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2020/01/03
Tuberculosis
Imidazo[1
2-alpha]pyridine-3-carboxamides
hERG K+ channel inhibition
Pharmacokinetics
Structure-activity relationship
Discovery of Potent Benzocycloalkane Derived Diapophytoene Desaturase Inhibitors with an Enhanced Safety Profile for the Treatment of MRSA, VISA, and LRSA Infections
期刊论文
ACS INFECTIOUS DISEASES, 2018, 卷号: 4, 期号: 3, 页码: 208-217
作者:
Li, Baoli
;
Ni, Shuaishuai
;
Chen, Feifei
;
Mao, Fei
;
Wei, Hanwen
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  |  
浏览/下载:48/0
  |  
提交时间:2019/01/08
Staphylococcus aureus
diapophytoene desaturase
methicillin-resistant Staphylococcus aureus
hERG safety
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