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上海药物研究所 [13]
复旦大学上海医学院 [3]
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昆明植物研究所 [1]
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期刊论文 [20]
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Picture-word order compound protein interaction: Predicting compound-protein interaction using structural images of compounds
期刊论文
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2021, 页码: 10
作者:
Qian, Ying
;
Li, Xuelian
;
Wu, Jian
;
Zhou, Aimin
;
Xu, Zhijian
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2022/01/04
compound-protein interaction
convolutional neural network (CNN)
drug-drug interaction
image processing
structural images
Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation
期刊论文
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:27/0
  |  
提交时间:2020/12/21
Deep Learning Enhancing Kinome-Wide Polypharmacology Profiling: Model Construction and Experiment Validation
期刊论文
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:23/0
  |  
提交时间:2020/12/21
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments
期刊论文
BIOINFORMATICS, 2020, 卷号: 36, 期号: 16, 页码: 4406-4414
作者:
Chen, Lifan
;
Tan, Xiaoqin
;
Wang, Dingyan
;
Zhong, Feisheng
;
Liu, Xiaohong
收藏
  |  
浏览/下载:17/0
  |  
提交时间:2021/05/24
DeepCPI: A Deep Learning-based Framework for Large-scale in silico Drug Screening
期刊论文
GENOMICS PROTEOMICS & BIOINFORMATICS, 2019, 卷号: 17, 期号: 5, 页码: 478-495
作者:
Wan, Fangping
;
Zhu, Yue
;
Hu, Hailin
;
Dai, Antao
;
Cai, Xiaoqing
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  |  
浏览/下载:27/0
  |  
提交时间:2020/07/01
Deep learning
Machine learning
Drug discovery
In silico drug screening
Compound-protein interaction prediction
Identification of potential AMPK activator by pharmacophore modeling, molecular docking and QSAR study
期刊论文
COMPUTATIONAL BIOLOGY AND CHEMISTRY, 2019, 卷号: 79, 页码: 165-176
作者:
Li, Yingying
;
Peng, Jiale
;
Li, Penghua
;
Du, Haibo
;
Li, Yaping
收藏
  |  
浏览/下载:65/0
  |  
提交时间:2019/07/29
Pharmacophore modeling
Molecular docking
Quantitative structure activity relationship (QSAR)
Molecular dynamics
AMPK
Activator
deepcpiadeeplearningbasedframeworkforlargescaleinsilicodrugscreening
期刊论文
genomicsproteomicsbioinformatics, 2019, 卷号: 17, 期号: 5, 页码: 478
作者:
Wan Fangping
;
Zhu Yue
;
Hu Hailin
;
Dai Antao
;
Cai Xiaoqing
收藏
  |  
浏览/下载:23/0
  |  
提交时间:2020/07/01
Deep learning
Machine learning
Drug discovery
Compound–protein interaction prediction
Gray BP neural network based prediction of rice protein interaction network.
期刊论文
Cluster Computing, 2018
作者:
Wang X(王雪)
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2021/12/15
Gray value
BP neural network
Rice protein interaction
Prediction
Effectively Identifying Compound-Protein Interactions by Learning from Positive and Unlabeled Examples
期刊论文
IEEE-ACM TRANSACTIONS ON COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, 2018, 卷号: 15, 期号: 6
作者:
Cheng, Zhanzhan
;
Zhou, Shuigeng
;
Wang, Yang
;
Liu, Hui
;
Guan, Jihong
收藏
  |  
浏览/下载:4/0
  |  
提交时间:2019/12/05
Compound-protein interaction prediction
PU learning
biased-SVM
Identification of compound-protein interactions through the analysis of gene ontology, KEGG enrichment for proteins and molecular fragments of compounds
期刊论文
MOLECULAR GENETICS AND GENOMICS, 2016, 卷号: 291, 期号: 6, 页码: 2065-2079
作者:
Chen, Lei
;
Zhang, Yu-Hang
;
Zheng, Mingyue
;
Huang, Tao
;
Cai, Yu-Dong
收藏
  |  
浏览/下载:25/0
  |  
提交时间:2019/01/08
Compound-protein interaction
Gene ontology enrichment
KEGG enrichment
Minimum redundancy maximum relevance
Incremental feature selection
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