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 [16]
新疆生态与地理研究所 [1]
寒区旱区环境与工程研... [1]
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OAI收割 [17]
iSwitch采集 [1]
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期刊论文 [18]
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2023 [1]
2022 [1]
2021 [4]
2020 [4]
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2018 [2]
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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:4/0
  |  
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:17/0
  |  
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:33/0
  |  
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:19/0
  |  
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:23/0
  |  
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:17/0
  |  
提交时间:2021/08/17
Automated design and optimization of multitarget schizophrenia drug candidates by deep learning
期刊论文
OAI收割
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 204, 页码: 16
作者:
Tan, Xiaoqin
;
Jiang, Xiangrui
;
He, Yang
;
Zhong, Feisheng
;
Li, Xutong
  |  
收藏
  |  
浏览/下载:52/0
  |  
提交时间:2020/12/21
Schizophrenia
Multitarget antipsychotic drugs
Recurrent neural network
Multitask deep neural network
Automated drug design
Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8749-8760
作者:
Xiong, Zhaoping
;
Wang, Dingyan
;
Liu, Xiaohong
;
Zhong, Feisheng
;
Wan, Xiaozhe
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2020/12/21
Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737
作者:
Li, Xutong
;
Li, Zhaojun
;
Wu, Xiaolong
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2020/12/21
Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation
期刊论文
OAI收割
JOURNAL OF MEDICINAL CHEMISTRY, 2020, 卷号: 63, 期号: 16, 页码: 8723-8737
作者:
Li, Xutong
;
Li, Zhaojun
;
Wu, Xiaolong
;
Xiong, Zhaoping
;
Yang, Tianbiao
  |  
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2020/12/21