In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion

doi:10.1186/1758-2946-6-33

	In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion
	Liu, Xian 1; Xu, Yuan 1; Li, Shanshan 1; Wang, Yulan 1; Peng, Jianlong 1; Luo, Cheng 1; Luo, Xiaomin 1; Zheng, Mingyue 1; Chen, Kaixian1,2 ; Jiang, Hualiang1,2
	2014-06-18
发表期刊	JOURNAL OF CHEMINFORMATICS
ISSN	1758-2946
卷号	6
发表状态	已发表
DOI	10.1186/1758-2946-6-33
摘要	Background: Ligand-based in silico target fishing can be used to identify the potential interacting target of bioactive ligands, which is useful for understanding the polypharmacology and safety profile of existing drugs. The underlying principle of the approach is that known bioactive ligands can be used as reference to predict the targets for a new compound.
关键词	Target fishing Big data Molecular fingerprints Data fusion Similarity searching
收录类别	SCI
语种	英语
资助项目	National Natural Science Foundation of China[81230076] ; National Natural Science Foundation of China[21210003]
WOS研究方向	Chemistry ; Computer Science
WOS类目	Chemistry, Multidisciplinary ; Computer Science, Information Systems ; Computer Science, Interdisciplinary Applications
WOS记录号	WOS:000338586500001
出版者	BIOMED CENTRAL LTD
WOS关键词	CHEMICAL SIMILARITY ; PROTEIN DATABASE ; DRUG DISCOVERY ; POLYPHARMACOLOGY ; SEARCH ; IDENTIFICATION ; PHARMACOLOGY ; VALIDATION ; ROPINIROLE ; PREDICTION
原始文献类型	Article
引用统计
文献类型	期刊论文
条目标识符	https://kms.shanghaitech.edu.cn/handle/2MSLDSTB/2395
专题	生命科学与技术学院_特聘教授组_陈凯先组免疫化学研究所_特聘教授组_蒋华良组
通讯作者	Luo, Xiaomin
作者单位	1.Chinese Acad Sci, Shanghai Inst Mat Med, State Key Lab Drug Res, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China 2.ShanghaiTech Univ, Sch Life Sci & Technol, Shanghai 200031, Peoples R China
推荐引用方式 GB/T 7714	Liu, Xian,Xu, Yuan,Li, Shanshan,et al. In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion[J]. JOURNAL OF CHEMINFORMATICS,2014,6.
APA	Liu, Xian.,Xu, Yuan.,Li, Shanshan.,Wang, Yulan.,Peng, Jianlong.,...&Jiang, Hualiang.(2014).In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion.JOURNAL OF CHEMINFORMATICS,6.
MLA	Liu, Xian,et al."In Silico target fishing: addressing a "Big Data" problem by ligand-based similarity rankings with data fusion".JOURNAL OF CHEMINFORMATICS 6(2014).