中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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Meta-MolNet: A Cross-Domain Benchmark for Few Examples Drug Discovery
期刊论文
OAI收割
IEEE TRANSACTIONS ON NEURAL NETWORKS AND LEARNING SYSTEMS, 2024, 页码: 15
作者:
Lv, Qiujie
;
Chen, Guanxing
;
Yang, Ziduo
;
Zhong, Weihe
;
Chen, Calvin Yu-Chian
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2024/04/09
Benchmark platform
cross-domain meta-learning
drug discovery
few examples
Meta-MolNet
molecular property
Development of Potent MALT1 Inhibitors Featuring a Novel "2-Thioxo-2,3-dihydrothiazolo[4,5-
d
]pyrimidin-7(6
H
)-one" Scaffold for the Treatment of B Cell Lymphoma
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 67, 期号: 4, 页码: 2884-2906
作者:
Liang, Xuewu
;
Yu, Haolan
;
Liang, Renwen
;
Feng, Zhuanghui
;
Saidahmatov, Abdusaid
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2024/04/09
Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G
s
proteins
期刊论文
OAI收割
CELL DISCOVERY, 2024, 卷号: 10, 期号: 1, 页码: 13
作者:
Cong, Zhaotong
;
Zhao, Fenghui
;
Li, Yang
;
Luo, Gan
;
Mai, Yiting
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2024/03/13
Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 265, 页码: 14
作者:
Chen, Xuetao
;
Wu, Tingting
;
Du, Zhiyan
;
Kang, Wenjing
;
Xu, Rujun
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2024/02/27
BET
BD1
Bromodomain
Brain-permeable
Multiple sclerosis
Discovery of GPX4 inhibitors through FP-based high-throughput screening
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 265, 页码: 14
作者:
Cao, Yu
;
Wu, Bin
;
Xu, Ying
;
Wang, Mingchen
;
Wu, Xinyu
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2024/02/27
GPX4 inhibitor
HTS assay
Ferroptosis
Fluorescence polarization
Novel imidazo[1,2,4] triazole derivatives: Synthesis, fluorescence, bioactivity for SHP1
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 265, 页码: 15
作者:
Yan, Xue
;
Zhang, Chun
;
Gao, Li-Xin
;
Liu, Min -Min
;
Yang, Yu-Ting
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2024/02/27
Imidazo[124] triazole derivatives
Fluorescence property
SHP1
Bioactivity
Cellular imaging
Discovery of a 1,6-naphthyridin-4-one-based AXL inhibitor with improved pharmacokinetics and enhanced in vivo antitumor efficacy
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 265, 页码: 17
作者:
Lan, Yaohan
;
Peng, Xia
;
Ji, Yinchun
;
Su, Yi
;
Duan, Wenhu
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2024/02/27
AXL inhibitor
In vivo antitumor efficacy
6-Naphthyridin-4-one derivatives
Scaffold hopping
Structure-based drug design
Application of ensemble learning for predicting GABA
A
receptor agonists
期刊论文
OAI收割
COMPUTERS IN BIOLOGY AND MEDICINE, 2024, 卷号: 169, 页码: 13
作者:
Xiao, Fu
;
Ding, Xiaoyu
;
Shi, Yan
;
Wang, Dingyan
;
Wang, Yitian
  |  
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2024/03/25
GABA(A )receptor
Benzodiazepine
Agonist
Machine learning
Classification
Discovery of a potent and selective covalent threonine tyrosine kinase (TTK) inhibitor
期刊论文
OAI收割
BIOORGANIC CHEMISTRY, 2024, 卷号: 143, 页码: 16
作者:
Sun, Yaoliang
;
Chen, Zhiwen
;
Liu, Guobin
;
Chen, Xiaoai
;
Shi, Zihan
  |  
收藏
  |  
浏览/下载:8/0
  |  
提交时间:2024/03/25
Inhibitor
Cancer
Threonine tyrosine kinase (TTK)
Covalent
Direct Construction of
C
-Alkyl Glycosides from Non-Activated Olefins via Nickel-Catalyzed C(sp
3
)―C(sp
3
) Coupling Reaction
期刊论文
OAI收割
ADVANCED SCIENCE, 2024, 页码: 8
作者:
Yu, Changyue
;
Xu, Yinghuan
;
Zeng, Mingjie
;
Wang, Jingjing
;
Dai, Wenhao
  |  
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2024/02/27
C-alkyl glycosides
C(sp3)C(sp3) coupling
non-activated olefins
nickel catalysis