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科研机构
上海药物研究所 [9]
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期刊论文 [9]
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2020 [1]
2018 [1]
2017 [1]
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内容类型:期刊论文
专题:上海药物研究所
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Metabolomics Combined with Multivariate Statistical Analysis for Screening of Chemical Markers between Gentiana scabra and Gentiana rigescens
期刊论文
MOLECULES, 2020, 卷号: 25, 期号: 5, 页码: 17
作者:
Zhang, Gaole
;
Li, Yun
;
Wei, Wenlong
;
Li, Jiayuan
;
Li, Haoju
收藏
  |  
浏览/下载:44/0
  |  
提交时间:2020/07/01
Gentianae Radix et Rhizome
Gentiana scabra
Gentiana rigescens
metabolomics
UPLC
LTQ-Orbitrap-MS
chemical markers
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:29/0
  |  
提交时间:2019/01/08
drug design
artificial intelligence
deep learning
QSAR
ADME/T
Analysis and prediction of drug-drug interaction by minimum redundancy maximum relevance and incremental feature selection
期刊论文
JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS, 2017, 卷号: 35, 期号: 2, 页码: 312-329
作者:
Liu, Lili
;
Chen, Lei
;
Zhang, Yu-Hang
;
Wei, Lai
;
Cheng, Shiwen
收藏
  |  
浏览/下载:22/0
  |  
提交时间:2019/01/08
Drug-drug interaction
drug-target interaction
chemical interaction
protein interaction
minimum redundancy maximum relevance
incremental feature selection
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
Study of Drug-Drug Combinations Based on Molecular Descriptors and Physicochemical Properties
期刊论文
COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING, 2016, 卷号: 19, 期号: 2, 页码: 153-160
作者:
Niu, Bing
;
Xing, Zhihao
;
Zhao, Manman
;
Huo, Haizhong
;
Huang, Guohua
收藏
  |  
浏览/下载:20/0
  |  
提交时间:2019/01/08
Physicochemical properties
mRMR
drug-drug combinations
random forest
feature selection
Quantitative and qualitative determination of LiuweiDihuang preparations by ultra high performance liquid chromatography in dual-wavelength fingerprinting mode and random forest
期刊论文
JOURNAL OF SEPARATION SCIENCE, 2015, 卷号: 38, 期号: 21, 页码: 3720-3726
作者:
Qiu, Yixing
;
Huang, Jianhua
;
Jiang, Xingming
;
Chen, Yang
;
Liu, Yang
收藏
  |  
浏览/下载:18/0
  |  
提交时间:2019/01/08
Dual-wavelength fingerprinting
Liquid chromatography
LiuweiDihuang
Quality control
Random forest
In Silico Prediction of Chemical Acute Oral Toxicity Using MultiClassification Methods
期刊论文
JOURNAL OF CHEMICAL INFORMATION AND MODELING, 2014, 卷号: 54, 期号: 4, 页码: 1061-1069
作者:
Li, Xiao
;
Chen, Lei
;
Cheng, Feixiong
;
Wu, Zengrui
;
Bian, Hanping
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  |  
浏览/下载:15/0
  |  
提交时间:2019/01/08
Predicting network of drug-enzyme interaction based on machine learning method
期刊论文
BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS, 2014, 卷号: 1844, 期号: 1, 页码: 214-223
作者:
Niu, Bing
;
Zhang, Yuchao
;
Ding, Juan
;
Lu, Yin
;
Wang, Miao
收藏
  |  
浏览/下载:14/0
  |  
提交时间:2019/01/08
Drug-enzyme interaction
CfsSubset
Machine learning
Random Forest
Pseudo amino acid composition
Molecular descriptor
Prediction of Effective Drug Combinations by Chemical Interaction, Protein Interaction and Target Enrichment of KEGG Pathways
期刊论文
BIOMED RESEARCH INTERNATIONAL, 2013
作者:
Chen, Lei
;
Li, Bi-Qing
;
Zheng, Ming-Yue
;
Zhang, Jian
;
Feng, Kai-Yan
收藏
  |  
浏览/下载:9/0
  |  
提交时间:2019/01/08
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