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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
机构
上海药物研究所 [19]
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 [20]
iSwitch采集 [1]
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期刊论文 [21]
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2024 [3]
2023 [1]
2022 [1]
2021 [4]
2020 [4]
2019 [3]
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学科主题
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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:94/0
  |  
提交时间:2025/01/14
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:90/0
  |  
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:5/0
  |  
提交时间:2024/07/12
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:21/0
  |  
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:34/0
  |  
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:48/0
  |  
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:32/0
  |  
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:23/0
  |  
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:60/0
  |  
提交时间:2020/12/21
Schizophrenia
Multitarget antipsychotic drugs
Recurrent neural network
Multitask deep neural network
Automated drug design