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
机构
上海药物研究所 [36]
金属研究所 [2]
深圳先进技术研究院 [1]
宁波材料技术与工程研... [1]
烟台海岸带研究所 [1]
采集方式
OAI收割 [41]
内容类型
期刊论文 [40]
会议论文 [1]
发表日期
2025 [2]
2024 [7]
2023 [3]
2022 [2]
2021 [6]
2020 [4]
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学科主题
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浏览/检索结果:
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NMRExtractor: leveraging large language models to construct an experimental NMR database from open-source scientific publications
期刊论文
OAI收割
CHEMICAL SCIENCE, 2025, 卷号: 16, 期号: 25, 页码: 11548-11558
作者:
Wang, Qinggong
;
Zhang, Wei
;
Chen, Mingan
;
Li, Xutong
;
Xiong, Zhaoping
  |  
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2025/08/20
Bridging chemistry and artificial intelligence by a reaction description language
期刊论文
OAI收割
NATURE MACHINE INTELLIGENCE, 2025, 卷号: 7, 期号: 5, 页码: 16
作者:
Xiong, Jiacheng
;
Zhang, Wei
;
Wang, Yinquan
;
Huang, Jiatao
;
Shi, Yuqi
  |  
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2025/07/25
FAPM: functional annotation of proteins using multimodal models beyond structural modeling
期刊论文
OAI收割
BIOINFORMATICS, 2024, 卷号: 40, 期号: 12, 页码: 12
作者:
Xiang, Wenkai
;
Xiong, Zhaoping
;
Chen, Huan
;
Xiong, Jiacheng
;
Zhang, Wei
  |  
收藏
  |  
浏览/下载:119/0
  |  
提交时间:2025/01/14
Covalent DNA-Encoded Library Workflow Drives Discovery of SARS-CoV-2 Nonstructural Protein Inhibitors
期刊论文
OAI收割
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2024, 页码: 14
作者:
Wang, Xudong
;
Xiong, Liwei
;
Zhu, Ying
;
Liu, Sixiu
;
Zhao, Wenfeng
  |  
收藏
  |  
浏览/下载:32/0
  |  
提交时间:2024/12/25
Enhancing the Predictive Power of Machine Learning Models through a Chemical Space Complementary DEL Screening Strategy
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2024, 页码: 12
作者:
Suo, Yanrui
;
Qian, Xu
;
Xiong, Zhaoping
;
Liu, Xiaohong
;
Wang, Chao
  |  
收藏
  |  
浏览/下载:117/0
  |  
提交时间:2024/11/26
Fine-tuning large language models for chemical text mining
期刊论文
OAI收割
CHEMICAL SCIENCE, 2024, 页码: 12
作者:
Zhang, Wei
;
Wang, Qinggong
;
Kong, Xiangtai
;
Xiong, Jiacheng
;
Ni, Shengkun
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2024/07/12
Update on the development of TGR5 agonists for human diseases
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2024, 卷号: 271, 页码: 20
作者:
Jin, Wangrui
;
Zheng, Mingyue
;
Chen, Yihua
;
Xiong, Hai
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2024/07/12
Bile acids
TGR5
T2DM
Gut-targeted TGR5 agonists
Structure-based design of pan-coronavirus inhibitors targeting host cathepsin L and calpain-1
期刊论文
OAI收割
SIGNAL TRANSDUCTION AND TARGETED THERAPY, 2024, 卷号: 9, 期号: 1, 页码: 14
作者:
Xie, Xiong
;
Lan, Qiaoshuai
;
Zhao, Jinyi
;
Zhang, Sulin
;
Liu, Lu
  |  
收藏
  |  
浏览/下载:39/0
  |  
提交时间:2024/05/07
Transfer learning enhanced graph neural network for aldehyde oxidase metabolism prediction and its experimental application
期刊论文
OAI收割
ACTA PHARMACEUTICA SINICA B, 2024, 卷号: 14, 期号: 2, 页码: 623-634
作者:
Xiong, Jiacheng
;
Cui, Rongrong
;
Li, Zhaojun
;
Zhang, Wei
;
Zhang, Runze
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2024/05/07
Drug metabolism
Aldehyde oxidase
Transfer learning
Graph neural network
Kinase inhibitor
αExtractor: a system for automatic extraction of chemical information from biomedical literature
期刊论文
OAI收割
SCIENCE CHINA-LIFE SCIENCES, 2023, 页码: 4
作者:
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收藏
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浏览/下载:49/0
  |  
提交时间:2023/12/08