mlsanityData to 7 Oct 2026

Network Medicine Framework for Identifying Drug Repurposing Opportunities for COVID-19

arXiv 2004.07229 ↗First posted 15 Apr 2020q-bio.MN cs.LG q-bio.QMcited by 38

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Abstract (arXiv)

The current pandemic has highlighted the need for methodologies that can quickly and reliably prioritize clinically approved compounds for their potential effectiveness for SARS-CoV-2 infections. In the past decade, network medicine has developed and validated multiple predictive algorithms for drug repurposing, exploiting the sub-cellular network-based relationship between a drug's targets and disease genes. Here, we deployed algorithms relying on artificial intelligence, network diffusion, and network proximity, tasking each of them to rank 6,340 drugs for their expected efficacy against SARS-CoV-2. To test the predictions, we used as ground truth 918 drugs that had been experimentally screened in VeroE6 cells, and the list of drugs under clinical trial, that capture the medical community's assessment of drugs with potential COVID-19 efficacy. We find that while most algorithms offer predictive power for these ground truth data, no single method offers consistently reliable outcomes across all datasets and metrics. This prompted us to develop a multimodal approach that fuses the predictions of all algorithms, showing that a consensus among the different predictive methods consistently exceeds the performance of the best individual pipelines. We find that 76 of the 77 drugs that successfully reduced viral infection do not bind the proteins targeted by SARS-CoV-2, indicating that these drugs rely on network-based actions that cannot be identified using docking-based strategies. These advances offer a methodological pathway to identify repurposable drugs for future pathogens and neglected diseases underserved by the costs and extended timeline of de novo drug development.

Key facts. Cited by 38 papers in the map (data through 7 Oct 2026). First posted on arXiv 15 Apr 2020.

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Citing papers per year: 2021: 10; 2022: 10; 2023: 10; 2024: 7; 2025: 0; 2026: 1.

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  9. 2021Automated Machine Learning on Graphs: A Surveycited by 38
  10. 2023Accelerating science with human-aware artificial intelligencecited by 27
  11. 2023Learning Invariant Molecular Representation in Latent Discrete Spacecited by 19
  12. 2024Graph Learning under Distribution Shifts: A Comprehensive Survey on Domain Adaptation, Out-of-distribution, and Continual Learningcited by 17
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  1. 2022Deep learning for drug repurposing: methods, databases, and applicationscited by 16
  2. 2022Multi-task Joint Strategies of Self-supervised Representation Learning on Biomedical Networks for Drug Discoverycited by 13
  3. 2023Knowledge Graphs for the Life Sciences: Recent Developments, Challenges and Opportunitiescited by 10
  4. 2022A Distant Supervision Corpus for Extracting Biomedical Relationships Between Chemicals, Diseases and Genescited by 9
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  6. 2022Automated Graph Machine Learning: Approaches, Libraries, Benchmarks and Directionscited by 8
  7. 2021Explainable Biomedical Recommendations via Reinforcement Learning Reasoning on Knowledge Graphscited by 7
  8. 2023BioBLP: A Modular Framework for Learning on Multimodal Biomedical Knowledge Graphscited by 5
  9. 2022KGML-xDTD: A Knowledge Graph-based Machine Learning Framework for Drug Treatment Prediction and Mechanism Descriptioncited by 4
  10. 2024Synthetic Data from Diffusion Models Improve Drug Discovery Predictioncited by 4
  11. 2024Graph Neural Networks on Quantum Computerscited by 4
  12. 2021Accelerating science with human versus alien artificial intelligencescited by 3
  13. 2022The maximum capability of a topological feature in link predictioncited by 3
  14. 2023Stochastic Subgraph Neighborhood Pooling for Subgraph Classificationcited by 3
  15. 2023Graph AI in Medicinecited by 3
  16. 2024Accelerating Complex Disease Treatment through Network Medicine and GenAI: A Case Study on Drug Repurposing for Breast Cancercited by 3
  17. 2022Complementary artificial intelligence designed to augment human discoverycited by 1
  18. 2023Knowledge Graphs are not Created Equal: Exploring the Properties and Structure of Real KGscited by 1
  19. 2024Graph Vertex Embeddings: Distance, Regularization and Community Detectioncited by 1
  20. 2026RAG-GNN: Integrating Retrieved Knowledge with Graph Neural Networks for Precision Medicinecited by 1
  21. 2021Contrastive Learning Improves Critical Event Prediction in COVID-19 Patientscited by 0
  22. 2021Heterogeneous network-based drug repurposing for COVID-19cited by 0
  23. 2021AI-Bind: Improving Binding Predictions for Novel Protein Targets and Ligandscited by 0
  24. 2023Modeling Path Importance for Effective Alzheimer's Disease Drug Repurposingcited by 0
  25. 2024Simplicity within biological complexitycited by 0
  26. 2024Drug Discovery SMILES-to-Pharmacokinetics Diffusion Models with Deep Molecular Understandingcited by 0