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A drug repositioning algorithm based on a deep autoencoder and adaptive fusion

BACKGROUND: Drug repositioning has caught the attention of scholars at home and abroad due to its effective reduction of the development cost and time of new drugs. However, existing drug repositioning methods that are based on computational analysis are limited by sparse data and classic fusion met...

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Autores principales: Chen, Peng, Bao, Tianjiazhi, Yu, Xiaosheng, Liu, Zhongtu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8556784/
https://www.ncbi.nlm.nih.gov/pubmed/34717542
http://dx.doi.org/10.1186/s12859-021-04406-y
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author Chen, Peng
Bao, Tianjiazhi
Yu, Xiaosheng
Liu, Zhongtu
author_facet Chen, Peng
Bao, Tianjiazhi
Yu, Xiaosheng
Liu, Zhongtu
author_sort Chen, Peng
collection PubMed
description BACKGROUND: Drug repositioning has caught the attention of scholars at home and abroad due to its effective reduction of the development cost and time of new drugs. However, existing drug repositioning methods that are based on computational analysis are limited by sparse data and classic fusion methods; thus, we use autoencoders and adaptive fusion methods to calculate drug repositioning. RESULTS: In this study, a drug repositioning algorithm based on a deep autoencoder and adaptive fusion was proposed to mitigate the problems of decreased precision and low-efficiency multisource data fusion caused by data sparseness. Specifically, a drug is repositioned by fusing drug-disease associations, drug target proteins, drug chemical structures and drug side effects. First, drug feature data integrated by drug target proteins and chemical structures were processed with dimension reduction via a deep autoencoder to characterize feature representations more densely and abstractly. Then, disease similarity was computed using drug-disease association data, while drug similarity was calculated with drug feature and drug-side effect data. Predictions of drug-disease associations were also calculated using a top-k neighbor method that is commonly used in predictive drug repositioning studies. Finally, a predicted matrix for drug-disease associations was acquired after fusing a wide variety of data via adaptive fusion. Based on experimental results, the proposed algorithm achieves a higher precision and recall rate than the DRCFFS, SLAMS and BADR algorithms with the same dataset. CONCLUSION: The proposed algorithm contributes to investigating the novel uses of drugs, as shown in a case study of Alzheimer's disease. Therefore, the proposed algorithm can provide an auxiliary effect for clinical trials of drug repositioning. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s12859-021-04406-y.
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spelling pubmed-85567842021-11-01 A drug repositioning algorithm based on a deep autoencoder and adaptive fusion Chen, Peng Bao, Tianjiazhi Yu, Xiaosheng Liu, Zhongtu BMC Bioinformatics Research Article BACKGROUND: Drug repositioning has caught the attention of scholars at home and abroad due to its effective reduction of the development cost and time of new drugs. However, existing drug repositioning methods that are based on computational analysis are limited by sparse data and classic fusion methods; thus, we use autoencoders and adaptive fusion methods to calculate drug repositioning. RESULTS: In this study, a drug repositioning algorithm based on a deep autoencoder and adaptive fusion was proposed to mitigate the problems of decreased precision and low-efficiency multisource data fusion caused by data sparseness. Specifically, a drug is repositioned by fusing drug-disease associations, drug target proteins, drug chemical structures and drug side effects. First, drug feature data integrated by drug target proteins and chemical structures were processed with dimension reduction via a deep autoencoder to characterize feature representations more densely and abstractly. Then, disease similarity was computed using drug-disease association data, while drug similarity was calculated with drug feature and drug-side effect data. Predictions of drug-disease associations were also calculated using a top-k neighbor method that is commonly used in predictive drug repositioning studies. Finally, a predicted matrix for drug-disease associations was acquired after fusing a wide variety of data via adaptive fusion. Based on experimental results, the proposed algorithm achieves a higher precision and recall rate than the DRCFFS, SLAMS and BADR algorithms with the same dataset. CONCLUSION: The proposed algorithm contributes to investigating the novel uses of drugs, as shown in a case study of Alzheimer's disease. Therefore, the proposed algorithm can provide an auxiliary effect for clinical trials of drug repositioning. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1186/s12859-021-04406-y. BioMed Central 2021-10-30 /pmc/articles/PMC8556784/ /pubmed/34717542 http://dx.doi.org/10.1186/s12859-021-04406-y Text en © The Author(s) 2021 https://creativecommons.org/licenses/by/4.0/Open AccessThis article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article's Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article's Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) . The Creative Commons Public Domain Dedication waiver (http://creativecommons.org/publicdomain/zero/1.0/ (https://creativecommons.org/publicdomain/zero/1.0/) ) applies to the data made available in this article, unless otherwise stated in a credit line to the data.
spellingShingle Research Article
Chen, Peng
Bao, Tianjiazhi
Yu, Xiaosheng
Liu, Zhongtu
A drug repositioning algorithm based on a deep autoencoder and adaptive fusion
title A drug repositioning algorithm based on a deep autoencoder and adaptive fusion
title_full A drug repositioning algorithm based on a deep autoencoder and adaptive fusion
title_fullStr A drug repositioning algorithm based on a deep autoencoder and adaptive fusion
title_full_unstemmed A drug repositioning algorithm based on a deep autoencoder and adaptive fusion
title_short A drug repositioning algorithm based on a deep autoencoder and adaptive fusion
title_sort drug repositioning algorithm based on a deep autoencoder and adaptive fusion
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8556784/
https://www.ncbi.nlm.nih.gov/pubmed/34717542
http://dx.doi.org/10.1186/s12859-021-04406-y
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