Artificial Intelligence in Pharmacy: The Future of Drug Design

Ijas Ahamed, M and Jayashree, V. (2025) Artificial Intelligence in Pharmacy: The Future of Drug Design. In: Advancing Science and Technology through Multidisciplinary Innovation toward the Future. SCIENTIFIC RESEARCH REPORTS, pp. 47-56. ISBN 978-81-987134-6-9

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Abstract

Artificial Intelligence (AI) is rapidly transforming the pharmaceutical landscape, particularly in drug design and development. By leveraging machine learning, deep learning, and natural language processing, AI enables the analysis of vast chemical and biological datasets to accelerate drug discovery, reduce costs, and enhance therapeutic precision. AI-driven approaches support target identification, lead optimization, and predictive modeling, while advanced techniques like generative adversarial networks and
reinforcement learning facilitate de novo molecular design. In toxicology and pharmacokinetics, AI predicts ADMET properties and simulates biological interactions to minimize late-stage failures and improve patient safety. Clinical trials benefit from AI through optimized patient recruitment, response prediction, and real-time
monitoring. Trailblazing platforms like IBM Watson, Atomwise, BenevolentAI, and AlphaFold epitomize the transformative fusion of artificial intelligence with pharmaceutical innovation, streamlining
everything from molecular discovery to clinical strategy. Despite its promise, AI faces challenges including data quality, model interpretability, algorithmic bias, lack of standardization, and regulatory hurdles. The infusion of AI into pharmaceutical domains is accompanied by enduring ethical dilemmas, notably those concerning the sanctity of personal data and the contested ownership of algorithmic outputs. Addressing these limitations is crucial for
scalable, equitable, and trustworthy AI adoption in drug
development. As the field evolves, interdisciplinary collaboration and robust validation frameworks will be essential to fully realize AI’s potential in revolutionizing pharmacy.

Item Type: Book Section
Domains: Pharmacology
Depositing User: Mr IR Admin
Date Deposited: 11 May 2026 07:17
Last Modified: 11 May 2026 17:48
URI: https://ir.vistas.ac.in/id/eprint/16411

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