This paper is published in Volume-12, Issue-1, 2026
Area
Computational Biology
Author
Aditi Dipak Thorat, Shlok Shivaji Kaule, Paras Vijay Tak, Anuj Prakash Gagare, Vijayendra S. Gaikwad
Org/Univ
Pune Institute of Computer Technology, Maharashtra, India
Keywords
Computational Drug Discovery, Graph Attention Networks, Network-Based Prediction, Heterogeneous Graphs, Machine Learning, Therapeutic Discovery.
Citations
IEEE
Aditi Dipak Thorat, Shlok Shivaji Kaule, Paras Vijay Tak, Anuj Prakash Gagare, Vijayendra S. Gaikwad. A Survey on Modern Computational Methods for Drug Repurposing, International Journal of Advance Research, Ideas and Innovations in Technology, www.IJARIIT.com.
APA
Aditi Dipak Thorat, Shlok Shivaji Kaule, Paras Vijay Tak, Anuj Prakash Gagare, Vijayendra S. Gaikwad (2026). A Survey on Modern Computational Methods for Drug Repurposing. International Journal of Advance Research, Ideas and Innovations in Technology, 12(1) www.IJARIIT.com.
MLA
Aditi Dipak Thorat, Shlok Shivaji Kaule, Paras Vijay Tak, Anuj Prakash Gagare, Vijayendra S. Gaikwad. "A Survey on Modern Computational Methods for Drug Repurposing." International Journal of Advance Research, Ideas and Innovations in Technology 12.1 (2026). www.IJARIIT.com.
Aditi Dipak Thorat, Shlok Shivaji Kaule, Paras Vijay Tak, Anuj Prakash Gagare, Vijayendra S. Gaikwad. A Survey on Modern Computational Methods for Drug Repurposing, International Journal of Advance Research, Ideas and Innovations in Technology, www.IJARIIT.com.
APA
Aditi Dipak Thorat, Shlok Shivaji Kaule, Paras Vijay Tak, Anuj Prakash Gagare, Vijayendra S. Gaikwad (2026). A Survey on Modern Computational Methods for Drug Repurposing. International Journal of Advance Research, Ideas and Innovations in Technology, 12(1) www.IJARIIT.com.
MLA
Aditi Dipak Thorat, Shlok Shivaji Kaule, Paras Vijay Tak, Anuj Prakash Gagare, Vijayendra S. Gaikwad. "A Survey on Modern Computational Methods for Drug Repurposing." International Journal of Advance Research, Ideas and Innovations in Technology 12.1 (2026). www.IJARIIT.com.
Abstract
Drug repurposing, the process of identifying new therapeutic uses for existing drugs, offers a promising strategy to accelerate drug development by significantly reducing costs, time, and risks compared to de novo drug discovery. The increasing availability of large-scale biomedical data has catalysed the development of computational approaches to systematically identify and prioritise repurposing candidates. This survey reviews the state-of-the-art computational methodologies, with a particular focus on network medicine and machine learning-based techniques. We discuss key approaches such as pathway-based analysis, network proximity, matrix factorisation, and the growing application of deep learning, particularly Graph Neural Networks (GNNs), which leverage complex biomedical networks. The paper explores how these methodsutilisee heterogeneous data—including drug-target interactions, gene-disease associations, and molecular structures—to generate repurposing hypotheses. Furthermore, we outline the primary challenges in the field, including data integration, model generalizability, and the need for explainability, and discuss future directions, such as the integration of multi-modal data and the development of more sophisticated, interpretable AI models.
