Drug–target interaction prediction using unifying of graph regularized nuclear norm with bilinear factorization

Abstract Background Wet-lab experiments for identification of interactions between drugs and target proteins are time-consuming, costly and labor-intensive. The use of computational prediction of drug–target interactions (DTIs), which is one of the significant points in drug discovery, has been cons...

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Autores principales: Ali Ghanbari Sorkhi, Zahra Abbasi, Majid Iranpour Mobarakeh, Jamshid Pirgazi
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Lenguaje:EN
Publicado: BMC 2021
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Acceso en línea:https://doaj.org/article/60571230ee8a46e59cc08fa5b83be312
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spelling oai:doaj.org-article:60571230ee8a46e59cc08fa5b83be3122021-11-21T12:09:12ZDrug–target interaction prediction using unifying of graph regularized nuclear norm with bilinear factorization10.1186/s12859-021-04464-21471-2105https://doaj.org/article/60571230ee8a46e59cc08fa5b83be3122021-11-01T00:00:00Zhttps://doi.org/10.1186/s12859-021-04464-2https://doaj.org/toc/1471-2105Abstract Background Wet-lab experiments for identification of interactions between drugs and target proteins are time-consuming, costly and labor-intensive. The use of computational prediction of drug–target interactions (DTIs), which is one of the significant points in drug discovery, has been considered by many researchers in recent years. It also reduces the search space of interactions by proposing potential interaction candidates. Results In this paper, a new approach based on unifying matrix factorization and nuclear norm minimization is proposed to find a low-rank interaction. In this combined method, to solve the low-rank matrix approximation, the terms in the DTI problem are used in such a way that the nuclear norm regularized problem is optimized by a bilinear factorization based on Rank-Restricted Soft Singular Value Decomposition (RRSSVD). In the proposed method, adjacencies between drugs and targets are encoded by graphs. Drug–target interaction, drug-drug similarity, target-target, and combination of similarities have also been used as input. Conclusions The proposed method is evaluated on four benchmark datasets known as Enzymes (E), Ion channels (ICs), G protein-coupled receptors (GPCRs) and nuclear receptors (NRs) based on AUC, AUPR, and time measure. The results show an improvement in the performance of the proposed method compared to the state-of-the-art techniques.Ali Ghanbari SorkhiZahra AbbasiMajid Iranpour MobarakehJamshid PirgaziBMCarticleDrug–target interactionComputational predictionLow-rank interactionDrug discoveryComputer applications to medicine. Medical informaticsR858-859.7Biology (General)QH301-705.5ENBMC Bioinformatics, Vol 22, Iss 1, Pp 1-23 (2021)
institution DOAJ
collection DOAJ
language EN
topic Drug–target interaction
Computational prediction
Low-rank interaction
Drug discovery
Computer applications to medicine. Medical informatics
R858-859.7
Biology (General)
QH301-705.5
spellingShingle Drug–target interaction
Computational prediction
Low-rank interaction
Drug discovery
Computer applications to medicine. Medical informatics
R858-859.7
Biology (General)
QH301-705.5
Ali Ghanbari Sorkhi
Zahra Abbasi
Majid Iranpour Mobarakeh
Jamshid Pirgazi
Drug–target interaction prediction using unifying of graph regularized nuclear norm with bilinear factorization
description Abstract Background Wet-lab experiments for identification of interactions between drugs and target proteins are time-consuming, costly and labor-intensive. The use of computational prediction of drug–target interactions (DTIs), which is one of the significant points in drug discovery, has been considered by many researchers in recent years. It also reduces the search space of interactions by proposing potential interaction candidates. Results In this paper, a new approach based on unifying matrix factorization and nuclear norm minimization is proposed to find a low-rank interaction. In this combined method, to solve the low-rank matrix approximation, the terms in the DTI problem are used in such a way that the nuclear norm regularized problem is optimized by a bilinear factorization based on Rank-Restricted Soft Singular Value Decomposition (RRSSVD). In the proposed method, adjacencies between drugs and targets are encoded by graphs. Drug–target interaction, drug-drug similarity, target-target, and combination of similarities have also been used as input. Conclusions The proposed method is evaluated on four benchmark datasets known as Enzymes (E), Ion channels (ICs), G protein-coupled receptors (GPCRs) and nuclear receptors (NRs) based on AUC, AUPR, and time measure. The results show an improvement in the performance of the proposed method compared to the state-of-the-art techniques.
format article
author Ali Ghanbari Sorkhi
Zahra Abbasi
Majid Iranpour Mobarakeh
Jamshid Pirgazi
author_facet Ali Ghanbari Sorkhi
Zahra Abbasi
Majid Iranpour Mobarakeh
Jamshid Pirgazi
author_sort Ali Ghanbari Sorkhi
title Drug–target interaction prediction using unifying of graph regularized nuclear norm with bilinear factorization
title_short Drug–target interaction prediction using unifying of graph regularized nuclear norm with bilinear factorization
title_full Drug–target interaction prediction using unifying of graph regularized nuclear norm with bilinear factorization
title_fullStr Drug–target interaction prediction using unifying of graph regularized nuclear norm with bilinear factorization
title_full_unstemmed Drug–target interaction prediction using unifying of graph regularized nuclear norm with bilinear factorization
title_sort drug–target interaction prediction using unifying of graph regularized nuclear norm with bilinear factorization
publisher BMC
publishDate 2021
url https://doaj.org/article/60571230ee8a46e59cc08fa5b83be312
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AT majidiranpourmobarakeh drugtargetinteractionpredictionusingunifyingofgraphregularizednuclearnormwithbilinearfactorization
AT jamshidpirgazi drugtargetinteractionpredictionusingunifyingofgraphregularizednuclearnormwithbilinearfactorization
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