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 [8]
宁波材料技术与工程研... [1]
烟台海岸带研究所 [1]
工程热物理研究所 [1]
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OAI收割 [11]
内容类型
期刊论文 [11]
发表日期
2023 [1]
2021 [1]
2020 [4]
2019 [1]
2018 [2]
2015 [1]
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学科主题
Environmen... [1]
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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
Scalable and fast fabrication of graphene integrated micro-supercapacitors with remarkable volumetric capacitance and flexibility through continuous centrifugal coating
期刊论文
OAI收割
JOURNAL OF ENERGY CHEMISTRY, 2021, 卷号: 52, 页码: 284-290
作者:
Shi, Xiaoyu
;
Tian, Lijun
;
Wang, Sen
;
Wen, Pengchao
;
Su, Ming
  |  
收藏
  |  
浏览/下载:29/0
  |  
提交时间:2021/12/01
ENERGY
NANOSHEETS
ELECTRODE
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:61/0
  |  
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:51/0
  |  
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:42/0
  |  
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:28/0
  |  
提交时间:2020/12/21
KinomeX: a web application for predicting kinome-wide polypharmacology effect of small molecules
期刊论文
OAI收割
BIOINFORMATICS, 2019, 卷号: 35, 期号: 24, 页码: 5354-5356
作者:
Li, Zhaojun
;
Li, Xutong
;
Liu, Xiaohong
;
Fu, Zunyun
;
Xiong, Zhaoping
  |  
收藏
  |  
浏览/下载:240/0
  |  
提交时间:2020/07/01
Artificial intelligence in drug design
期刊论文
OAI收割
SCIENCE CHINA-LIFE SCIENCES, 2018, 卷号: 61, 期号: 10, 页码: 1191-1204
作者:
Zhong, Feisheng
;
Xing, Jing
;
Li, Xutong
;
Liu, Xiaohong
;
Fu, Zunyun
  |  
收藏
  |  
浏览/下载:35/0
  |  
提交时间:2019/01/08
drug design
artificial intelligence
deep learning
QSAR
ADME/T
artificialintelligenceindrugdesign
期刊论文
OAI收割
sciencechinalifesciences, 2018, 卷号: 61, 期号: 10, 页码: 1191
作者:
Zhong Feisheng
;
Xing Jing
;
Li Xutong
;
Liu Xiaohong
;
Fu Zunyun
  |  
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/07/01
PROTEIN-PROTEIN-INTERACTION
MACHINE LEARNING-METHODS
COMPUTATIONAL METHODS
MOLECULAR-PROPERTIES
INTERACTION NETWORKS
NEURAL-NETWORKS
PREDICTION
DOCKING
DISCOVERY
PERMEABILITY
drug design
artificial intelligence
deep learning
QSAR
ADME/T
Thermal Characteristics of Hyperaccumulator and Fate of Heavy Metals during Thermal Treatment of Sedum plumbizincicola
期刊论文
OAI收割
INTERNATIONAL JOURNAL OF PHYTOREMEDIATION, 2015, 卷号: 17, 期号: 8, 页码: 766-776
作者:
Zhong, Daoxu
;
Zhong, Zhaoping
;
Wu, Longhua
;
Xue, Hui
;
Song, Zuwei
收藏
  |  
浏览/下载:103/0
  |  
提交时间:2015/07/31
hyperaccumulators
heavy metals
thermal disposal
thermodynamic analysis