Aug 2026· Drug Discovery Today· Vol 31, pp.
104754
· 0 citations· 65 references
Medicine
TL;DR
This review discusses agentic AI applications across the drug development continuum, from target discovery to post-market surveillance, and highlights three near-term use cases: algorithmic drug repurposing, informed consent support and automated drafting of regulatory documents.
Abstract
Productivity in pharmaceutical R&D continues to fall despite deeper biological insight and steady gains in clinical development operations - a phenomenon termed Eroom's Law. Agentic AI workflows powered by reasoning-trained large language models (LLMs), increasingly described as large reasoning models (LRMs), could potentially dent this trend. Unlike earlier task-specific models, these systems couple multi-step reasoning with the ability to plan, invoke external tools and retrieve authoritative information, enabling them to decompose and execute complex scientific and operational tasks. This review discusses agentic AI applications across the drug development continuum, from target discovery to post-market surveillance, and highlights three near-term use cases: algorithmic drug repurposing, informed consent support and automated drafting of regulatory documents. For each, we outline plausible architectures, the current level of supporting evidence and the principal failure modes that constrain deployment. Realizing these gains, however, requires prospective validation, rigorous human oversight and governance frameworks that align algorithmic outputs with clinical, ethical, legal and regulatory standards. When implemented responsibly, agentic AI could transform human-AI collaboration in biopharma, improving R&D efficiency and accelerating delivery of safer, more-effective therapies.
A critical review is needed to distinguish the stages in which AI can improve search, prioritization, and decision-making from those that remain limited by experimental validation, safety assessment, and clinical evidence generation.
J. Fernández-Martínez· Expert Opinion on Drug Disco...· 0 citations
A 4-layer framework can give MCOs earlier visibility into a therapy's likely clinical profile, cost-effectiveness distribution, and formulary placement probability before a manufacturer's dossier arrives, and allows budget forecasting and contracting strategy to keep pace with growing AI-accelerated pipelines.
Rishi Sharma· Journal of Managed Care & Sp...· 0 citations
Recommendations are provided for the development of AI in drug discovery with the aim of increasing its translational relevance, including benchmarking studies of AI tools in drug discovery need to move on from model validation and instead focus on their ability to improve decision making.
Andreas Bender, Morgan C. Thomas, J. Scannell et al.· Nature reviews. Drug discove...· 8 citations
Drug discovery is undergoing a paradigm shift from isolated artificial intelligence (AI) tools to integrated, closed-loop, agent-driven systems that combine prediction with experimental execution. Recent advances in large language models (LLMs), generative frameworks, and self-driving systems are facilitating the emerg...
How machine learning, deep learning, natural language processing, and related computational methods are being applied across the drug discovery process is reviewed, with particular attention to AlphaFold-based protein structure prediction, AI-supported virtual screening, generative chemistry, retrosynthetic planning, d...
Yue Peng· International Journal of Bio...· 0 citations
By enabling researchers to resume trials at advanced stages (Phase II/III), this model offers a strategic pathway to reduce R&D expenditures from billions to millions and accelerate market entry by 5–7 years.
A. F. M. Nazmus Sadat, Tanjina Piash, M. Al Hussain et al.· International journal of res...· 0 citations
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