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Int. J. Mol. Sci. 2017, 18(8), 1781; doi:10.3390/ijms18081781

An Ameliorated Prediction of Drug–Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features

1,2
,
1,2
,
1,2,3,* , 4
and
1,2,*
1
School of Computer Science and Technology, Tianjin University, Tianjin 300350, China
2
Tianjin University Institute of Computational Biology, Tianjin University, Tianjin 300350, China
3
Department of Computer Science and Engineering, University of South Carolina, Columbia, SC 29208, USA
4
College of Information Engineering, Taiyuan University of Technology, Taiyuan 030024, Shanxi, China
*
Authors to whom correspondence should be addressed.
Received: 22 July 2017 / Revised: 8 August 2017 / Accepted: 14 August 2017 / Published: 16 August 2017
(This article belongs to the Special Issue Special Protein Molecules Computational Identification)
View Full-Text   |   Download PDF [1866 KB, uploaded 21 August 2017]   |  

Abstract

The prediction of drug–target interactions (DTIs) via computational technology plays a crucial role in reducing the experimental cost. A variety of state-of-the-art methods have been proposed to improve the accuracy of DTI predictions. In this paper, we propose a kind of drug–target interactions predictor adopting multi-scale discrete wavelet transform and network features (named as DAWN) in order to solve the DTIs prediction problem. We encode the drug molecule by a substructure fingerprint with a dictionary of substructure patterns. Simultaneously, we apply the discrete wavelet transform (DWT) to extract features from target sequences. Then, we concatenate and normalize the target, drug, and network features to construct feature vectors. The prediction model is obtained by feeding these feature vectors into the support vector machine (SVM) classifier. Extensive experimental results show that the prediction ability of DAWN has a compatibility among other DTI prediction schemes. The prediction areas under the precision–recall curves (AUPRs) of four datasets are 0 . 895 (Enzyme), 0 . 921 (Ion Channel), 0 . 786 (guanosine-binding protein coupled receptor, GPCR), and 0 . 603 (Nuclear Receptor), respectively. View Full-Text
Keywords: drug–target interactions; discrete wavelet transform; network property; support vector machine drug–target interactions; discrete wavelet transform; network property; support vector machine
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MDPI and ACS Style

Shen, C.; Ding, Y.; Tang, J.; Xu, X.; Guo, F. An Ameliorated Prediction of Drug–Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features. Int. J. Mol. Sci. 2017, 18, 1781.

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