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Multi-algorithm and multi-model based drug target prediction and web server

文献类型：期刊论文

作者Liu, Ying-tao1; Li, Yi1; Huang, Zi-fu1; Xu, Zhi-jian1; Yang, Zhuo1; Chen, Zhu-xi1; Chen, Kai-xian1; Shi, Ji-ye2; Zhu, Wei-liang1
刊名ACTA PHARMACOLOGICA SINICA
出版日期2014-03
卷号35期号:3页码:419-431
关键词drug target protein sequence multi-algorithm and multi-model strategy web server support vector machine neural network decision tree
ISSN号1671-4083
DOI10.1038/aps.2013.153
文献子类Article
英文摘要Aim: To develop a reliable computational approach for predicting potential drug targets based merely on protein sequence. Methods: With drug target and non-target datasets prepared and 3 classification algorithms (Support Vector Machine, Neural Network and Decision Tree), a multi-algorithm and multi-model based strategy was employed for constructing models to predict potential drug targets. Results: Twenty one prediction models for each of the 3 algorithms were successfully developed. Our evaluation results showed that similar to 30% of human proteins were potential drug targets, and similar to 40% of putative targets for the drugs undergoing phase II clinical trials were probably non-targets. A public web server named D3TPredictor (http://www.d3pharma.com/d3tpredictor) was constructed to provide easy access. Conclusion: Reliable and robust drug target prediction based on protein sequences is achieved using the multi-algorithm and multi-model strategy.
WOS关键词DRUGGABLE GENOME ; TYROSINE KINASE ; PROTEIN ; DISCOVERY ; SITES ; IDENTIFICATION ; EXPLORATION ; VALIDATION ; PEPTIDES ; LIKENESS
资助项目National Natural Science Foundation of China[81273435] ; National Natural Science Foundation of China[21021063] ; National Science & Technology Projects[2012ZX09301001-004] ; National Science & Technology Projects[2012AA01A305] ; National Science & Technology Projects[2013ZX09103001-001]
WOS研究方向Chemistry ; Pharmacology & Pharmacy
语种英语
CSCD记录号CSCD:5067886
WOS记录号WOS:000332467200013
出版者ACTA PHARMACOLOGICA SINICA
源URL[http://119.78.100.183/handle/2S10ELR8/277174]  
专题药物发现与设计中心
通讯作者Shi, Ji-ye
作者单位1.Chinese Acad Sci, Shanghai Inst Mat Med, Key Lab Receptor Res, Drug Discovery & Design Ctr, Shanghai 201203, Peoples R China;
2.UCB Pharma, Informat Dept, Slough SL1 4EN, Berks, England
推荐引用方式
GB/T 7714		 Liu, Ying-tao,Li, Yi,Huang, Zi-fu,et al. Multi-algorithm and multi-model based drug target prediction and web server[J]. ACTA PHARMACOLOGICA SINICA,2014,35(3):419-431.
APA Liu, Ying-tao.,Li, Yi.,Huang, Zi-fu.,Xu, Zhi-jian.,Yang, Zhuo.,...&Zhu, Wei-liang.(2014).Multi-algorithm and multi-model based drug target prediction and web server.ACTA PHARMACOLOGICA SINICA,35(3),419-431.
MLA Liu, Ying-tao,et al."Multi-algorithm and multi-model based drug target prediction and web server".ACTA PHARMACOLOGICA SINICA 35.3(2014):419-431.

入库方式： OAI收割

来源：上海药物研究所

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