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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2017
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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. |
format | Online Article Text |
id | pubmed-5578170 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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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