Artificial Intelligence in Drug Discovery and Development: Transforming Pharmaceutical Innovation

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Authors: Mohd Shoab Ali, Taha Alqahtani, Humood Al Shmrany, Garima Gupta, Khang Wen Goh, A F G Sahebkar, Prashant Kesharwani
Cited by: 4
References: 199

Abstract

Drug discovery remains a lengthy, costly, and high-risk endeavor, often requiring over a decade from target identification to clinical translation. Artificial intelligence (AI) is reshaping this paradigm by enabling more efficient and accurate decision-making across the discovery and development pipeline. Advances in machine learning, deep learning, and natural language processing now support target identification, hit finding, lead optimization, and drug repurposing with unprecedented speed and precision. AI-driven insilico platforms further enhance early-stage predictability by forecasting toxicity, pharmacokinetics, and developability, thereby reducing late-stage attrition. This review critically examines the evolving role of AI in modern drug discovery and its expanding impact on pharmaceutical formulation development and personalized medicine. Collaborative models between AI developers and the pharmaceutical industries, essential for accelerating translational outcomes, are also highlighted. Finally, key challenges, including algorithmic transparency, data quality, interoperability, and regulatory acceptance, are discussed, along with future directions for harnessing AI's full potential in pharmaceutics.

Fields of Study & Subjects

Computational Drug Discovery Methods Pharmacogenetics and Drug Metabolism Cell Image Analysis Techniques

Publication details

Journal / source
Drug Development Research
Publisher
Wiley
Volume
87
Issue
3
Pages
e70281–e70281
Publication date
19 April 2026
Language
EN