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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宁波材料技术与工程... [33]
上海药物研究所 [16]
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MolFilterGAN: a progressively augmented generative adversarial network for triaging AI-designed molecules
期刊论文
OAI收割
JOURNAL OF CHEMINFORMATICS, 2023, 卷号: 15, 期号: 1, 页码: 42
作者:
Liu, Xiaohong
;
Zhang, Wei
;
Tong, Xiaochu
;
Zhong, Feisheng
;
Li, Zhaojun
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2024/03/27
De novo molecule design
Generative models
Deep learning
Virtual screening
Compound quality control
PanGu Drug Model: learn a molecule like a human
期刊论文
OAI收割
SCIENCE CHINA-LIFE SCIENCES, 2022, 页码: 4
作者:
Lin, Xinyuan
;
Xu, Chi
;
Xiong, Zhaoping
;
Zhang, Xinfeng
;
Ni, Ningxi
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2023/04/10
Generative Models for De Novo Drug Design
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2021, 卷号: 64, 期号: 19, 页码: 14011-14027
作者:
Tong, Xiaochu
;
Liu, Xiaohong
;
Tan, Xiaoqin
;
Li, Xutong
;
Jiang, Jiaxin
  |  
收藏
  |  
浏览/下载:49/0
  |  
提交时间:2021/12/16
Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge
期刊论文
OAI收割
PLOS COMPUTATIONAL BIOLOGY, 2021, 卷号: 17, 期号: 9, 页码: 19
作者:
Xiong, Zhaoping
;
Jeon, Minji
;
Allaway, Robert J.
;
Kang, Jaewoo
;
Park, Donghyeon
  |  
收藏
  |  
浏览/下载:31/0
  |  
提交时间:2021/11/04
Facing small and biased data dilemma in drug discovery with enhanced federated learning approaches
期刊论文
OAI收割
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:36/0
  |  
提交时间:2021/11/04
federated learning
drug discovery
FedAMP
Non-IID data
Graph neural networks for automated de novo drug design
期刊论文
OAI收割
DRUG DISCOVERY TODAY, 2021, 卷号: 26, 期号: 6, 页码: 1382-1393
作者:
Xiong, Jiacheng
;
Xiong, Zhaoping
;
Chen, Kaixian
;
Jiang, Hualiang
;
Zheng, Mingyue
  |  
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2021/08/17
High Pressure Effect on Structural and Electrochemical Properties of Anionic Redox-Based Lithium Transition Metal Oxides
期刊论文
OAI收割
MATTER, 2021, 卷号: 4, 期号: 1, 页码: 164-181
作者:
Zhang, Minghao
;
Qiu, Bao
;
Gallardo-Amores, Jose M.
;
Olguin, Marco
;
Liu, Haodong
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2021/12/01
CATHODE MATERIALS
AB-INITIO
INTERCALATION
POLYMORPHS
GENERATION
BATTERIES
MN
Graphene Modified Polyaniline-Hydrogel Based Stretchable Supercapacitor with High Capacitance and Excellent Stretching Stability
期刊论文
OAI收割
CHEMSUSCHEM, 2021, 卷号: 14, 期号: 3, 页码: 938-945
作者:
Chen, Wen
;
Jiang, Shunqiong
;
Xiao, Han
;
Zhou, Xufeng
;
Xu, Xueyan
  |  
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2021/12/01
FLEXIBLE SUPERCAPACITORS
PERFORMANCE
OXIDE
FILM
COMPOSITE
CARBON
POLYMERIZATION
NANOCOMPOSITES
ELECTRODES
TOUGH
Robust and durable flexible micro-supercapacitors enabled by graphene nanoscrolls
期刊论文
OAI收割
CHEMICAL ENGINEERING JOURNAL, 2021, 卷号: 405
作者:
Jiang, Shunqiong
;
Zhou, Xufeng
;
Xiao, Han
;
Chen, Wen
;
Xu, Xueyan
  |  
收藏
  |  
浏览/下载:19/0
  |  
提交时间:2021/12/01
Graphene wrapped silicon suboxides anodes with suppressed Li-uptake behavior enabled superior cycling stability
期刊论文
OAI收割
ENERGY STORAGE MATERIALS, 2021, 卷号: 35, 页码: 317-326
作者:
Fu, Rusheng
;
Ji, Jingjing
;
Yun, Liang
;
Jiang, Yabei
;
Zhang, Jun
  |  
收藏
  |  
浏览/下载:21/0
  |  
提交时间:2021/12/01
LITHIUM-ION BATTERY
MECHANO-ELECTROCHEMICAL INTERACTION
HIGH-CAPACITY
POROUS SILICON
SI
ELECTRODES
NANOPARTICLES
GROWTH
DEFORMATION
COMPOSITE