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

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 pre...

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Autores principales: Shen, Cong, Ding, Yijie, Tang, Jijun, Xu, Xinying, Guo, Fei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5578170/
https://www.ncbi.nlm.nih.gov/pubmed/28813000
http://dx.doi.org/10.3390/ijms18081781
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author Shen, Cong
Ding, Yijie
Tang, Jijun
Xu, Xinying
Guo, Fei
author_facet Shen, Cong
Ding, Yijie
Tang, Jijun
Xu, Xinying
Guo, Fei
author_sort Shen, Cong
collection PubMed
description 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 [Formula: see text] (Enzyme), [Formula: see text] (Ion Channel), [Formula: see text] (guanosine-binding protein coupled receptor, GPCR), and [Formula: see text] (Nuclear Receptor), respectively.
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spelling pubmed-55781702017-09-05 An Ameliorated Prediction of Drug–Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features Shen, Cong Ding, Yijie Tang, Jijun Xu, Xinying Guo, Fei Int J Mol Sci Article 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 [Formula: see text] (Enzyme), [Formula: see text] (Ion Channel), [Formula: see text] (guanosine-binding protein coupled receptor, GPCR), and [Formula: see text] (Nuclear Receptor), respectively. MDPI 2017-08-16 /pmc/articles/PMC5578170/ /pubmed/28813000 http://dx.doi.org/10.3390/ijms18081781 Text en © 2017 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Shen, Cong
Ding, Yijie
Tang, Jijun
Xu, Xinying
Guo, Fei
An Ameliorated Prediction of Drug–Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features
title An Ameliorated Prediction of Drug–Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features
title_full An Ameliorated Prediction of Drug–Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features
title_fullStr An Ameliorated Prediction of Drug–Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features
title_full_unstemmed An Ameliorated Prediction of Drug–Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features
title_short An Ameliorated Prediction of Drug–Target Interactions Based on Multi-Scale Discrete Wavelet Transform and Network Features
title_sort ameliorated prediction of drug–target interactions based on multi-scale discrete wavelet transform and network features
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5578170/
https://www.ncbi.nlm.nih.gov/pubmed/28813000
http://dx.doi.org/10.3390/ijms18081781
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