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Learning from low-rank multimodal representations for predicting disease-drug associations

BACKGROUND: Disease-drug associations provide essential information for drug discovery and disease treatment. Many disease-drug associations remain unobserved or unknown, and trials to confirm these associations are time-consuming and expensive. To better understand and explore these valuable associ...

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Autores principales: Hu, Pengwei, Huang, Yu-an, Mei, Jing, Leung, Henry, Chen, Zhan-heng, Kuang, Ze-min, You, Zhu-hong, Hu, Lun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8567544/
https://www.ncbi.nlm.nih.gov/pubmed/34736437
http://dx.doi.org/10.1186/s12911-021-01648-x
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author Hu, Pengwei
Huang, Yu-an
Mei, Jing
Leung, Henry
Chen, Zhan-heng
Kuang, Ze-min
You, Zhu-hong
Hu, Lun
author_facet Hu, Pengwei
Huang, Yu-an
Mei, Jing
Leung, Henry
Chen, Zhan-heng
Kuang, Ze-min
You, Zhu-hong
Hu, Lun
author_sort Hu, Pengwei
collection PubMed
description BACKGROUND: Disease-drug associations provide essential information for drug discovery and disease treatment. Many disease-drug associations remain unobserved or unknown, and trials to confirm these associations are time-consuming and expensive. To better understand and explore these valuable associations, it would be useful to develop computational methods for predicting unobserved disease-drug associations. With the advent of various datasets describing diseases and drugs, it has become more feasible to build a model describing the potential correlation between disease and drugs. RESULTS: In this work, we propose a new prediction method, called LMFDA, which works in several stages. First, it studies the drug chemical structure, disease MeSH descriptors, disease-related phenotypic terms, and drug-drug interactions. On this basis, similarity networks of different sources are constructed to enrich the representation of drugs and diseases. Based on the fused disease similarity network and drug similarity network, LMFDA calculated the association score of each pair of diseases and drugs in the database. This method achieves good performance on Fdataset and Cdataset, AUROCs were 91.6% and 92.1% respectively, higher than many of the existing computational models. CONCLUSIONS: The novelty of LMFDA lies in the introduction of multimodal fusion using low-rank tensors to fuse multiple similar networks and combine matrix complement technology to predict potential association. We have demonstrated that LMFDA can display excellent network integration ability for accurate disease-drug association inferring and achieve substantial improvement over the advanced approach. Overall, experimental results on two real-world networks dataset demonstrate that LMFDA able to delivers an excellent detecting performance. Results also suggest that perfecting similar networks with as much domain knowledge as possible is a promising direction for drug repositioning.
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spelling pubmed-85675442021-11-04 Learning from low-rank multimodal representations for predicting disease-drug associations Hu, Pengwei Huang, Yu-an Mei, Jing Leung, Henry Chen, Zhan-heng Kuang, Ze-min You, Zhu-hong Hu, Lun BMC Med Inform Decis Mak Research BACKGROUND: Disease-drug associations provide essential information for drug discovery and disease treatment. Many disease-drug associations remain unobserved or unknown, and trials to confirm these associations are time-consuming and expensive. To better understand and explore these valuable associations, it would be useful to develop computational methods for predicting unobserved disease-drug associations. With the advent of various datasets describing diseases and drugs, it has become more feasible to build a model describing the potential correlation between disease and drugs. RESULTS: In this work, we propose a new prediction method, called LMFDA, which works in several stages. First, it studies the drug chemical structure, disease MeSH descriptors, disease-related phenotypic terms, and drug-drug interactions. On this basis, similarity networks of different sources are constructed to enrich the representation of drugs and diseases. Based on the fused disease similarity network and drug similarity network, LMFDA calculated the association score of each pair of diseases and drugs in the database. This method achieves good performance on Fdataset and Cdataset, AUROCs were 91.6% and 92.1% respectively, higher than many of the existing computational models. CONCLUSIONS: The novelty of LMFDA lies in the introduction of multimodal fusion using low-rank tensors to fuse multiple similar networks and combine matrix complement technology to predict potential association. We have demonstrated that LMFDA can display excellent network integration ability for accurate disease-drug association inferring and achieve substantial improvement over the advanced approach. Overall, experimental results on two real-world networks dataset demonstrate that LMFDA able to delivers an excellent detecting performance. Results also suggest that perfecting similar networks with as much domain knowledge as possible is a promising direction for drug repositioning. BioMed Central 2021-11-04 /pmc/articles/PMC8567544/ /pubmed/34736437 http://dx.doi.org/10.1186/s12911-021-01648-x 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
Hu, Pengwei
Huang, Yu-an
Mei, Jing
Leung, Henry
Chen, Zhan-heng
Kuang, Ze-min
You, Zhu-hong
Hu, Lun
Learning from low-rank multimodal representations for predicting disease-drug associations
title Learning from low-rank multimodal representations for predicting disease-drug associations
title_full Learning from low-rank multimodal representations for predicting disease-drug associations
title_fullStr Learning from low-rank multimodal representations for predicting disease-drug associations
title_full_unstemmed Learning from low-rank multimodal representations for predicting disease-drug associations
title_short Learning from low-rank multimodal representations for predicting disease-drug associations
title_sort learning from low-rank multimodal representations for predicting disease-drug associations
topic Research
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8567544/
https://www.ncbi.nlm.nih.gov/pubmed/34736437
http://dx.doi.org/10.1186/s12911-021-01648-x
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