Artificial intelligence and computational tools in drug repurposing: a new frontier in therapeutic discovery

Drug repurposing is the process of identifying novel therapeutic uses for currently available therapies that were initially created for different objectives in order to profit from the established safety and efficacy characteristics of well-known pharmaceuticals. Therefore, by avoiding the first phases of drug development, novel treatments can be introduced to the market more quickly and affordably. Artificial intelligence (AI) is a suitable substitute for conventional experimental approaches, which can be expensive and time-consuming, because of its lesser price, computer benefits, and capacity to reveal underlying trends. The primary subjects of this review include the use of AI algorithms in drug research and their unique and advantageous functions in identifying medicine repurposing, particularly when combined with in silico evaluation of therapeutic compounds. It has been shown that current AI systems are excellent at analyzing massive datasets, identifying intricate drug reaction patterns, and predicting potential medication repurposing. Building on these findings, there are still obstacles to establishing effective AI algorithms and carrying out further research, like expanding customized medicine, enhancing AI computing efficiency, and merging data-related databases for better repurposing.

Authors

Publication Details

Journal
International Journal of Community Medicine and Public Health
Published
2026-10-30
DOI
https://doi.org/10.18203/2394-6040.ijcmph20264134
Primary Topic
Computational Drug Discovery Methods
Type
article
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article

Artificial intelligence and computational tools in drug repurposing: a new frontier in therapeutic discovery

Amtul Muqeet Rafia, Billa Yashaswi, Fathima Begum, C. Sai Manasa et al.
5 links
International Journal of Community Medicine and Public Health
Computational Drug Discovery Methods
article

Artificial intelligence and computational tools in drug repurposing: a new frontier in therapeutic discovery

Amtul Muqeet Rafia, Billa Yashaswi, Fathima Begum, C. Sai Manasa, Durgam Akshaya
article en

Abstract

Drug repurposing is the process of identifying novel therapeutic uses for currently available therapies that were initially created for different objectives in order to profit from the established safety and efficacy characteristics of well-known pharmaceuticals. Therefore, by avoiding the first phases of drug development, novel treatments can be introduced to the market more quickly and affordably. Artificial intelligence (AI) is a suitable substitute for conventional experimental approaches, which can be expensive and time-consuming, because of its lesser price, computer benefits, and capacity to reveal underlying trends. The primary subjects of this review include the use of AI algorithms in drug research and their unique and advantageous functions in identifying medicine repurposing, particularly when combined with in silico evaluation of therapeutic compounds. It has been shown that current AI systems are excellent at analyzing massive datasets, identifying intricate drug reaction patterns, and predicting potential medication repurposing. Building on these findings, there are still obstacles to establishing effective AI algorithms and carrying out further research, like expanding customized medicine, enhancing AI computing efficiency, and merging data-related databases for better repurposing.

International Journal of Community Medicine and Public HealthVol. 13(11)
Good health and well-being
Openalex Percentile: Top 14%
Computational Drug Discovery Methods
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