Drug-disease networks and drug repurposing

Repurposing existing drugs to treat new diseases is a cost-effective alternative to de novo drug development, but there are millions of potential drug-disease combinations to be considered with only a small fraction being viable. In silico predictions of drug-disease associations can be invaluable for reducing the size of the search space. In this work we present a novel network of drugs and the diseases they treat, compiled using a combination of existing textual and machine-readable databases, natural-language processing tools, and hand curation, and analyze it using network-based link prediction methods to identify potential drug-disease combinations. We measure the efficacy of these methods using cross-validation tests and find that several methods, particularly those based on graph embedding and network model fitting, achieve impressive prediction performance, significantly better than previous approaches, with area under the ROC curve above 0.95 and average precision almost a thousand times better than chance.

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Publication Details

Journal
PLoS Computational Biology
Published
2025-10-16
DOI
https://doi.org/10.1371/journal.pcbi.1013595
Primary Topic
Computational Drug Discovery Methods
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article
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article

Drug-disease networks and drug repurposing

Austin Polanco, M. E. J. Newman
PLoS Computational Biology
Computational Drug Discovery Methods
article

Drug-disease networks and drug repurposing

Austin Polanco, M. E. J. Newman
article en

Abstract

Repurposing existing drugs to treat new diseases is a cost-effective alternative to de novo drug development, but there are millions of potential drug-disease combinations to be considered with only a small fraction being viable. In silico predictions of drug-disease associations can be invaluable for reducing the size of the search space. In this work we present a novel network of drugs and the diseases they treat, compiled using a combination of existing textual and machine-readable databases, natural-language processing tools, and hand curation, and analyze it using network-based link prediction methods to identify potential drug-disease combinations. We measure the efficacy of these methods using cross-validation tests and find that several methods, particularly those based on graph embedding and network model fitting, achieve impressive prediction performance, significantly better than previous approaches, with area under the ROC curve above 0.95 and average precision almost a thousand times better than chance.

PLoS Computational BiologyVol. 21(10)
University of Michigan (US), Michigan United (US)
Openalex Percentile: Top 69%
Computational Drug Discovery Methods
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Drug-disease networks and drug repurposing — Austin Polanco, M. E. J. Newman · PLoS Computational Biology (2025) | TGRS Research Map | TGRS