The AI-Driven Future of Drug Discovery: Innovations, Applications, and Challenges

AI is notably overcoming the long-standing problems, such as high costs, prolonged timelines, and complex biological data analysis, in drug discovery, which in turn is revolutionising the pharmaceutical industry. This article is aimed at making readers realise the significance of AI in drug discovery and what actual changes it has triggered by innovating in areas of target identification, virtual screening, automated drug design, compound optimisation, and biomarker discovery. AI applications, like deep learning or generative models, are now moving much faster and are more accurate in the identification of potential drug targets, while AI-powered virtual screening is the advanced method that makes possible lead identification by the prediction of ligand-receptor binding affinities. For automated drug design tools, generative adversarial networks (GANs) are used for optimising the properties of new molecules, thereby producing the most effective drugs, and reinforcement learning allows the reduction of the possible side effects to further improve the quality of compounds. Biomarker discovery, which is powered by AI, helps in precision medicine by allowing patient stratification and optimisation of clinical trials. Nevertheless, the difficulties in this matter are still poignant. Data handling, transparency in models, regulation uncertainties, and ethical problems such as privacy and bias limit AI in drug development. Collaboration of data sharing among the organisations and the progress in the regulatory frameworks are the most important points to be addressed to solve these issues. Despite these drawbacks, the future of artificial intelligence applications is quite bright, showing possibilities to decrease the spending on R&D, cut the timelines for drug development, deliver precision medicines that improve patients' outcomes, and spur the world's global healthcare solutions.

Authors

Institutions

Publication Details

Journal
Asian Journal of Research in Pharmaceutical Sciences
Published
2025-03-07
DOI
https://doi.org/10.52711/2231-5659.2025.00009
Citations
4
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
6.02
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
OCT
article

The AI-Driven Future of Drug Discovery: Innovations, Applications, and Challenges

A. B. Darekar, Mayuri N. Jagtap, Mukund M. Pache, Rutuja R. Pangavhane
4 citations
Asian Journal of Research in Pharmaceutical Sciences
Computational Drug Discovery Methods
6.02
article

The AI-Driven Future of Drug Discovery: Innovations, Applications, and Challenges

A. B. Darekar, Mayuri N. Jagtap, Mukund M. Pache, Rutuja R. Pangavhane
article en
4 citations

Abstract

AI is notably overcoming the long-standing problems, such as high costs, prolonged timelines, and complex biological data analysis, in drug discovery, which in turn is revolutionising the pharmaceutical industry. This article is aimed at making readers realise the significance of AI in drug discovery and what actual changes it has triggered by innovating in areas of target identification, virtual screening, automated drug design, compound optimisation, and biomarker discovery. AI applications, like deep learning or generative models, are now moving much faster and are more accurate in the identification of potential drug targets, while AI-powered virtual screening is the advanced method that makes possible lead identification by the prediction of ligand-receptor binding affinities. For automated drug design tools, generative adversarial networks (GANs) are used for optimising the properties of new molecules, thereby producing the most effective drugs, and reinforcement learning allows the reduction of the possible side effects to further improve the quality of compounds. Biomarker discovery, which is powered by AI, helps in precision medicine by allowing patient stratification and optimisation of clinical trials. Nevertheless, the difficulties in this matter are still poignant. Data handling, transparency in models, regulation uncertainties, and ethical problems such as privacy and bias limit AI in drug development. Collaboration of data sharing among the organisations and the progress in the regulatory frameworks are the most important points to be addressed to solve these issues. Despite these drawbacks, the future of artificial intelligence applications is quite bright, showing possibilities to decrease the spending on R&D, cut the timelines for drug development, deliver precision medicines that improve patients' outcomes, and spur the world's global healthcare solutions.

Asian Journal of Research in Pharmaceutical Sciences
Shri Vile Parle Kelavani Mandal (IN)
Openalex Percentile: Top 4%
Computational Drug Discovery Methods
6.02
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.

The AI-Driven Future of Drug Discovery: Innovations, Applications, and Challenges — A. B. Darekar, Mayuri N. Jagtap, et al. · Asian Journal of Research in Pharmaceutical Sciences (2025) | TGRS Research Map | TGRS