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An eigenvalue transformation technique for predicting drug-target interaction

delete2015-09-09
delete23
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OA
AI
Q
Qifan Kuang
徐鑫 封面图
徐鑫 (Xin Xu)
R
Rong Li
董永成 (Yongcheng Dong)
Y
Yan Li
Z
Ziyan Huang
Y
Yizhou Li
李梦龙 封面图
李梦龙 (Menglong Li) *
DOI:10.1038/srep13867delete
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摘要

摘要

En 中文
The prediction of drug-target interactions is a key step in the drug discovery process, which serves to identify new drugs or novel targets for existing drugs. However, experimental methods for predicting drug-target interactions are expensive and time-consuming. Therefore, the in silico prediction of drug-target interactions has recently attracted increasing attention. In this study, we propose an eigenvalue transformation technique and apply this technique to two representative algorithms, the Regularized Least Squares classifier (RLS) and the semi-supervised link prediction classifier (SLP), that have been used to predict drug-target interaction. The results of computational experiments with these techniques show that algorithms including eigenvalue transformation achieved better performance on drug-target interaction prediction than did the original algorithms. These findings show that eigenvalue transformation is an efficient technique for improving the performance of methods for predicting drug-target interactions. We further show that, in theory, eigenvalue transformation can be viewed as a feature transformation on the kernel matrix. Accordingly, although we only apply this technique to two algorithms in the current study, eigenvalue transformation also has the potential to be applied to other algorithms based on kernels.
Keyword:
KERNELS
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期刊

Scientific Reports 封面图
Scientific Reports
IF:
3.9
论文数:
27.8W
被引数:
83.5W

机构

S
sichuan university
学者数:
12.1W
论文数: 7.8W
被引数: 100
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