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ksrMKL:一种使用多核学习识别激酶-底物关系的新方法。

ksrMKL: a novel method for identification of kinase-substrate relationships using multiple kernel learning.

作者信息

Wang Minghui, Wang Tao, Li Ao

机构信息

School of Information Science and Technology, University of Science and Technology of China, Hefei, China.

Centers for Biomedical Engineering, University of Science and Technology of China, Hefei, China.

出版信息

PeerJ. 2017 Dec 20;5:e4182. doi: 10.7717/peerj.4182. eCollection 2017.

Abstract

Phosphorylation exerts a crucial role in multiple biological cellular processes which is catalyzed by protein kinases and closely related to many diseases. Identification of kinase-substrate relationships is important for understanding phosphorylation and provides a fundamental basis for further disease-related research and drug design. In this study, we develop a novel computational method to identify kinase-substrate relationships based on multiple kernel learning. The comparative analysis is based on a 10-fold cross-validation process and the dataset collected from the Phospho.ELM database. The results show that ksrMKL is greatly improved in various measures when compared with the single kernel support vector machine. Furthermore, with an independent test dataset extracted from the PhosphoSitePlus database, we compare ksrMKL with two existing kinase-substrate relationship prediction tools, namely iGPS and PKIS. The experimental results show that ksrMKL has better prediction performance than these existing tools.

摘要

磷酸化在多个生物细胞过程中发挥着关键作用,它由蛋白激酶催化,且与许多疾病密切相关。激酶-底物关系的识别对于理解磷酸化至关重要,并为进一步的疾病相关研究和药物设计提供了基础依据。在本研究中,我们开发了一种基于多核学习的新型计算方法来识别激酶-底物关系。比较分析基于10折交叉验证过程以及从Phospho.ELM数据库收集的数据集。结果表明,与单核支持向量机相比,ksrMKL在各项指标上都有显著提升。此外,利用从PhosphoSitePlus数据库提取的独立测试数据集,我们将ksrMKL与两种现有的激酶-底物关系预测工具iGPS和PKIS进行了比较。实验结果表明,ksrMKL比这些现有工具具有更好的预测性能。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2f9e/5741978/1d3d39ca4f10/peerj-05-4182-g001.jpg

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