中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
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上海药物研究所 [142]
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期刊论文 [440]
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Omics-based large language models: A new engine for drug discovery innovation
期刊论文
OAI收割
ACTA PHARMACEUTICA SINICA B, 2026, 卷号: 16, 期号: 1, 页码: 122-136
作者:
Sheng, Xia
;
Zhang, Xiaoya
;
Xing, Yuxin
;
Shi, Yuqi
;
Zeng, Chuanlong
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2026/04/01
Large language model
Representation learning
Generalization
Omics integration
Single-cell
Perturbation modeling
Target identification
Drug discovery
Multimodal pre-training models of molecular representation for drug discovery
期刊论文
OAI收割
NATIONAL SCIENCE REVIEW, 2026, 卷号: 13, 期号: 1, 页码: 18
作者:
Wang, Xiaoqi
;
Wang, Chuanshi
;
Ji, Boya
;
Wang, Junwen
;
Zheng, Mingyue
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2026/04/01
self-supervised learning
multimodal pre-training model
Transformer
molecular representation
drug discovery
AI-driven breakthroughs in ion channel drug discovery: the future is now
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2025, 页码: 2
作者:
Zheng, Ming-yue
;
Gao, Zhao-bing
  |  
收藏
  |  
浏览/下载:2/0
  |  
提交时间:2026/01/29
ion channel
artificial intelligence
deep learning
drug discovery
NMDA receptor
DMPE: A Dual-Branch Molecular Property Encapsulation Framework With Kolmogorov-Arnold Networks
期刊论文
OAI收割
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2025, 卷号: 46, 期号: 30, 页码: 16
作者:
Duo, Lihui
;
Tang, Bencan
;
Hirst, Jonathan D.
;
Xie, Hua
;
Ren, Jianfeng
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2026/01/28
cancer drug discovery
graph attention networks
molecular property prediction
molecular representations
Hydrogen, single-carbon compounds, and thermal regime in the oceanic ultramafic-dominated lithosphere: insights from a deep borehole on the Atlantis Massif
期刊论文
OAI收割
GEOCHIMICA ET COSMOCHIMICA ACTA, 2025, 卷号: 408, 页码: 84-104
作者:
Lang, Susan Q.
;
Wheat, C. Geoffrey
;
Dickerson, Kristin L.
;
Reagan, Mark K.
;
Savov, Ivan P.
  |  
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2025/12/09
Serpentinization
Hydrogen
Methane
Abiotic organic carbon
Organic acids
Ocean worlds
Prebiotic precursors
Formation waters
International Ocean Discovery Program
Expedition 399
Site 1601
Artificial intelligence in natural products research
期刊论文
OAI收割
CHINESE JOURNAL OF NATURAL MEDICINES, 2025, 卷号: 23, 期号: 11, 页码: 1342-1357
作者:
Yuan, Xiao
;
Yang, Xiaobo
;
Pan, Qiyuan
;
Luo, Cheng
;
Luan, Xin
  |  
收藏
  |  
浏览/下载:0/0
  |  
提交时间:2026/01/28
Natural products
Artificial intelligence
Deep learning
Drug discovery
Model interpretability
Divergent activation patterns of BRS3 revealed by two Chinese herb-derived agonists
期刊论文
OAI收割
ACTA PHARMACEUTICA SINICA B, 2025, 卷号: 15, 期号: 10, 页码: 5231-5243
作者:
Li, Jie
;
Li, Changyao
;
Zhou, Qingtong
;
Han, Wei
;
Fang, Mingzhu
  |  
收藏
  |  
浏览/下载:3/0
  |  
提交时间:2025/12/04
Bombesin receptor subtype-3
Cryo-EM
Structural pharmacology
Unliganded
Chinese herb DSO-5a
Oridonin
Receptor activation
Drug discovery
Viroporins beyond pathogenesis: Ion channel properties as the key to unlocking a neglected antiviral target
期刊论文
OAI收割
PHARMACOLOGICAL RESEARCH, 2025, 卷号: 219, 页码: 14
作者:
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2025/12/04
Viroporins
Ion selectivity
Pathogenic mechanism
Anti-viral drug discovery
Rational Design Strategies in DNA-Encoded Libraries for Drug Discovery
期刊论文
OAI收割
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2025, 页码: 32
作者:
Wang, Xudong
;
Li, Linjie
;
Shen, Xuanjing
;
Lu, Xiaojie
  |  
收藏
  |  
浏览/下载:1/0
  |  
提交时间:2025/12/04
Covalent libraries
DNA-encoded libraries
Drug discovery
Focused libraries
Fragment-based libraries
Advancing active compound discovery for novel drug targets: insights from AI-driven approaches
期刊论文
OAI收割
ACTA PHARMACOLOGICA SINICA, 2025, 页码: 12
作者:
Wang, Xing-you
;
Chen, Yang
;
Li, Yu-fan
;
Wei, Chao-yang
;
Liu, Meng-ya
  |  
收藏
  |  
浏览/下载:28/0
  |  
提交时间:2025/08/20
AI-driven drug discovery
novel drug targets
molecular design
ligand exploration
phenotypic drug discovery
undruggable targets