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Semi-supervised drug-protein interaction prediction from heterogeneous biological spaces
Xia, Zheng1; Wu, Ling-Yun2; Zhou, Xiaobo1; Wong, Stephen T. C.1
2010-09-13
发表期刊BMC SYSTEMS BIOLOGY
ISSN1752-0509
卷号4页码:12
摘要Background: Predicting drug-protein interactions from heterogeneous biological data sources is a key step for in silico drug discovery. The difficulty of this prediction task lies in the rarity of known drug-protein interactions and myriad unknown interactions to be predicted. To meet this challenge, a manifold regularization semi-supervised learning method is presented to tackle this issue by using labeled and unlabeled information which often generates better results than using the labeled data alone. Furthermore, our semi-supervised learning method integrates known drug-protein interaction network information as well as chemical structure and genomic sequence data. Results: Using the proposed method, we predicted certain drug-protein interactions on the enzyme, ion channel, GPCRs, and nuclear receptor data sets. Some of them are confirmed by the latest publicly available drug targets databases such as KEGG. Conclusions: We report encouraging results of using our method for drug-protein interaction network reconstruction which may shed light on the molecular interaction inference and new uses of marketed drugs.
DOI10.1186/1752-0509-4-S2-S6
语种英语
WOS研究方向Mathematical & Computational Biology
WOS类目Mathematical & Computational Biology
WOS记录号WOS:000208294800005
出版者BIOMED CENTRAL LTD
引用统计
文献类型期刊论文
条目标识符http://ir.amss.ac.cn/handle/2S8OKBNM/228
专题应用数学研究所
通讯作者Wong, Stephen T. C.
作者单位1.Cornell Univ, Methodist Hosp, Weill Med Coll, Bioinformat & Bioengn Program,Res Inst, Houston, TX 77030 USA
2.Chinese Acad Sci, Acad Math & Syst Sci, Inst Appl Math, Beijing 100080, Peoples R China
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GB/T 7714
Xia, Zheng,Wu, Ling-Yun,Zhou, Xiaobo,et al. Semi-supervised drug-protein interaction prediction from heterogeneous biological spaces[J]. BMC SYSTEMS BIOLOGY,2010,4:12.
APA Xia, Zheng,Wu, Ling-Yun,Zhou, Xiaobo,&Wong, Stephen T. C..(2010).Semi-supervised drug-protein interaction prediction from heterogeneous biological spaces.BMC SYSTEMS BIOLOGY,4,12.
MLA Xia, Zheng,et al."Semi-supervised drug-protein interaction prediction from heterogeneous biological spaces".BMC SYSTEMS BIOLOGY 4(2010):12.
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