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Chinese Academy of Sciences Institutional Repositories Grid
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CAS IR Grid
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上海药物研究所 [18]
深圳先进技术研究院 [6]
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期刊论文 [47]
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浏览/检索结果:
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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:93/0
  |  
提交时间:2024/11/26
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
  |  
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2024/05/07
Drug metabolism
Aldehyde oxidase
Transfer learning
Graph neural network
Kinase inhibitor
Supramolecular Nano-Grid Platform to Load and Deliver Liposomes and Exosomes
期刊论文
OAI收割
SMALL STRUCTURES, 2024, 页码: 10
作者:
Li, Jing
;
Ma, Wuzhen
;
Ren, Xiaohong
;
Guo, Tao
;
Yang, Boyang
  |  
收藏
  |  
浏览/下载:24/0
  |  
提交时间:2024/02/27
boronated organic framework
exosomes
liposomes
nano-grid particles
stimuli-responsive
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
  |  
浏览/下载:27/0
  |  
提交时间:2023/12/08
A longitudinal resource for population neuroscience of school-age children and adolescents in China
期刊论文
OAI收割
SCIENTIFIC DATA, 2023, 卷号: 10, 期号: 1, 页码: 24
作者:
Fan, Xue-Ru
;
Wang, Yin-Shan
;
Chang, Da
;
Yang, Ning
;
Rong, Meng-Jie
  |  
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2023/12/11
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:23/0
  |  
提交时间:2024/03/27
De novo molecule design
Generative models
Deep learning
Virtual screening
Compound quality control
A Two-Stage Framework for Bias and Reliability Tests of Ensemble Hydroclimatic Forecasts
期刊论文
OAI收割
WATER RESOURCES RESEARCH, 2022, 卷号: 58, 期号: 9, 页码: 22
作者:
Zhao, Tongtiegang
;
Xiong, Shaotang
;
Wang, Jiabiao
;
Liu, Zhiyong
;
Tian, Yu
  |  
收藏
  |  
浏览/下载:33/0
  |  
提交时间:2022/11/09
ensemble forecasts
global precipitation
predictive performance
probability integral transform
bias
reliability
Multi-instance learning of graph neural networks for aqueous pK(a) prediction
期刊论文
OAI收割
BIOINFORMATICS, 2022, 卷号: 38, 期号: 3, 页码: 792-798
作者:
Xiong, Jiacheng
;
Li, Zhaojun
;
Wang, Guangchao
;
Fu, Zunyun
;
Zhong, Feisheng
  |  
收藏
  |  
浏览/下载:46/0
  |  
提交时间:2022/06/15
Active water management brings possibility restoration to degraded lakes in dryland regions: a case study of Lop Nur, China
期刊论文
OAI收割
SCIENTIFIC REPORTS, 2022, 卷号: 12, 期号: 1
作者:
Lu, Shanlong
;
Wang, Yong
;
Zhou, Jinfeng
;
Hughes, Alice C.
;
Li, Mingyang
  |  
收藏
  |  
浏览/下载:43/0
  |  
提交时间:2024/03/07
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:51/0
  |  
提交时间:2021/12/16