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科研机构
上海药物研究所 [16]
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期刊论文 [16]
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2021 [1]
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2019 [1]
2018 [4]
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Crowdsourced identification of multi-target kinase inhibitors for RET- and TAU- based disease: The Multi-Targeting Drug DREAM Challenge
期刊论文
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:21/0
  |  
提交时间:2021/11/04
MSpectraAI: a powerful platform for deciphering proteome profiling of multi-tumor mass spectrometry data by using deep neural networks
期刊论文
BMC BIOINFORMATICS, 2020, 卷号: 21, 期号: 1, 页码: 15
作者:
Wang, Shisheng
;
Zhu, Hongwen
;
Zhou, Hu
;
Cheng, Jingqiu
;
Yang, Hao
收藏
  |  
浏览/下载:54/0
  |  
提交时间:2020/12/24
Raw mass spectrometry data
Proteome profiling
Feature swath extraction
Deep neural networks
Multi-tumor types
Leave-one-out cross prediction strategy
The dynamic conformational landscape of the protein methyltransferase SETD8
期刊论文
ELIFE, 2019, 卷号: 8, 页码: 76
作者:
Chen, Shi
;
Wiewiora, Rafal P.
;
Meng, Fanwang
;
Babault, Nicolas
;
Ma, Anqi
收藏
  |  
浏览/下载:11/0
  |  
提交时间:2020/07/01
Artificial intelligence in drug design
期刊论文
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:28/0
  |  
提交时间:2019/01/08
drug design
artificial intelligence
deep learning
QSAR
ADME/T
Computational chemical biology and drug design: Facilitating protein structure, function, and modulation studies
期刊论文
MEDICINAL RESEARCH REVIEWS, 2018, 卷号: 38, 期号: 3, 页码: 914-950
作者:
Zheng, Mingyue
;
Zhao, Jihui
;
Cui, Chen
;
Fu, Zunyun
;
Li, Xutong
收藏
  |  
浏览/下载:42/0
  |  
提交时间:2019/01/08
ADMET
chemical biology
drug design
in silico
lead optimization
molecular dynamics
polypharmacology
virtual screening
Machine Learning-Based Modeling of Drug Toxicity
期刊论文
Methods in molecular biology (Clifton, N.J.), 2018, 卷号: 1754, 页码: 247-264
作者:
Lu, Jing
;
Lu, Dong
;
Fu, Zunyun
;
Zheng, Mingyue
;
Luo, Xiaomin
收藏
  |  
浏览/下载:15/0
  |  
提交时间:2019/01/08
artificialintelligenceindrugdesign
期刊论文
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:9/0
  |  
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
In Silico Prediction of Chemical Toxicity Profile Using Local Lazy Learning
期刊论文
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2017, 卷号: 20, 期号: 4, 页码: 346-353
作者:
Lu, Jing
;
Zhang, Pin
;
Zou, Xiao-Wen
;
Zhao, Xiao-Qiang
;
Cheng, Ke-Guang
收藏
  |  
浏览/下载:12/0
  |  
提交时间:2019/01/08
Toxicity profile
Local lazy learning
ECFP_4
Laplacian-modified Bayesian
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
Estimation of elimination half-lives of organic chemicals in humans using gradient boosting machine
期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, 2016, 卷号: 1860, 期号: 11, 页码: 2664-2671
作者:
Lu, Jing
;
Lu, Dong
;
Zhang, Xiaochen
;
Bi, Yi
;
Cheng, Keguang
收藏
  |  
浏览/下载:16/0
  |  
提交时间:2019/01/08
Elimination half-life
Gradient boosting machine
Applicability domain
Consensus model
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