Journal Article
Machine Learning

Artificial intelligence in COVID-19 drug repurposing

Yadi Zhou(Cleveland Clinic Lerner College of Medicine), Fei Wang(Cornell University), Jian Tang(HEC Montréal), Ruth Nussinov(Leidos (United States)), Feixiong Cheng(Cleveland Clinic Lerner College of Medicine)
September 18, 2020The Lancet Digital Health647 citations

647

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14

Influential Citations

The Lancet Digital Health

Venue

2020

Year

Abstract

Drug repurposing or repositioning is a technique whereby existing drugs are used to treat emerging and challenging diseases, including COVID-19. Drug repurposing has become a promising approach because of the opportunity for reduced development timelines and overall costs. In the big data era, artificial intelligence (AI) and network medicine offer cutting-edge application of information science to defining disease, medicine, therapeutics, and identifying targets with the least error. In this Review, we introduce guidelines on how to use AI for accelerating drug repurposing or repositioning, for which AI approaches are not just formidable but are also necessary. We discuss how to use AI models in precision medicine, and as an example, how AI models can accelerate COVID-19 drug repurposing. Rapidly developing, powerful, and innovative AI and network medicine technologies can expedite therapeutic development. This Review provides a strong rationale for using AI-based assistive tools for drug repurposing medications for human disease, including during the COVID-19 pandemic.

Analysis

Why This Paper Matters

This paper is significant because it addresses a critical bottleneck in responding to emerging infectious diseases: the time and cost of developing new therapeutics. By focusing on drug repurposing—finding new uses for existing drugs—the authors highlight a strategy that can bypass many early-stage safety and efficacy hurdles. The integration of artificial intelligence and network medicine is presented not just as an enhancement but as a necessary evolution in the drug discovery process, especially under the urgency of a pandemic like COVID-19. The paper serves as a practical guide for researchers and practitioners, outlining how AI can be systematically applied to identify candidate drugs from existing databases, thereby accelerating the path from computational prediction to clinical testing.

Technical Contributions

The paper's main technical contributions are conceptual and methodological rather than algorithmic. It synthesizes a broad range of AI techniques relevant to drug repurposing:

  • Network-based approaches: Using protein-protein interaction networks, drug-target networks, and disease-gene networks to identify repurposing opportunities.
  • Machine learning models: Including supervised learning for predicting drug-disease associations and unsupervised methods for clustering drugs or diseases.
  • Deep learning: Application of neural networks to learn complex representations of drugs and diseases from heterogeneous data (e.g., chemical structures, genomic profiles).
  • Precision medicine integration: Tailoring drug repurposing predictions to patient subgroups based on genetic or biomarker data.
  • COVID-19 specific pipelines: Examples of how these AI methods were rapidly deployed to screen existing drugs against SARS-CoV-2 targets.

Results

As a review, the paper does not report new experimental results. Instead, it aggregates findings from multiple studies to demonstrate the potential of AI in drug repurposing. For instance, it references studies where AI models identified drugs like baricitinib and remdesivir as candidates for COVID-19 treatment, which later entered clinical trials. The paper emphasizes that AI can reduce the time to identify drug candidates from years to weeks, and lower costs by leveraging existing safety data. However, no specific quantitative metrics (e.g., accuracy, AUC, hit rates) are provided from the authors' own work.

Significance

The broader impact of this paper lies in its advocacy for a paradigm shift in therapeutic development. By providing a clear framework for using AI and network medicine, it encourages the research community to adopt computational methods as standard tools rather than experimental novelties. This is particularly important for future pandemics, where speed is paramount. The paper also underscores the importance of open data and collaborative platforms, which are essential for training robust AI models. For AI practitioners, it highlights the need for interpretable models and integration with biological knowledge, moving beyond black-box predictions to actionable insights. Ultimately, this review helps bridge the gap between computational science and clinical medicine, fostering interdisciplinary approaches that could transform how we respond to global health crises.