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 [14]
广州地球化学研究所 [2]
过程工程研究所 [1]
采集方式
OAI收割 [17]
内容类型
期刊论文 [17]
发表日期
2026 [1]
2025 [2]
2024 [5]
2023 [3]
2022 [3]
2021 [2]
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Dynamic-GLEP: a dynamics-informed deep learning framework for ligand efficacy prediction in representative Class A GPCRs
期刊论文
OAI收割
BRIEFINGS IN BIOINFORMATICS, 2026, 卷号: 27, 期号: 1, 页码: 15
作者:
Chen, Zhiyi
;
Hao, Yongxin
;
Su, Yuhong
;
Agren, Hans
;
Chen, Mingan
  |  
收藏
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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
  |  
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
  |  
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
  |  
收藏
  |  
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
  |  
Application of an absolute reference frame for methane clumped-isotope analyses
期刊论文
OAI收割
CHEMICAL GEOLOGY, 2024, 卷号: 646, 页码: 9
作者:
Liu, Qingmei
;
Li, Jiacheng
;
Jiang, Wenmin
;
Li, Yun
;
Lin, Mang
  |  
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  |  
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
  |  
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  |  
Deciphering the origin and secondary alteration of deep natural gas in the Tarim basin through paired methane clumped isotopes
期刊论文
OAI收割
MARINE AND PETROLEUM GEOLOGY, 2024, 卷号: 160, 页码: 11
作者:
Jiang, Wenmin
;
Liu, Qingmei
;
Li, Jiacheng
;
Li, Yun
;
Liu, Wen
  |  
收藏
  |  
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:
Xiong, Jiacheng
;
Liu, Xiaohong
;
Li, Zhaojun
;
Xiao, Hongzhong
;
Wang, Guangchao
  |  
收藏
  |  
LogD7.4 prediction enhanced by transferring knowledge from chromatographic retention time, microscopic pKa and logP
期刊论文
OAI收割
JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 13
作者:
Wang, Yitian
;
Xiong, Jiacheng
;
Xiao, Fu
;
Zhang, Wei
;
Cheng, Kaiyang
  |  
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