Applications of Artificial Intelligence in Biotech Drug Discovery and Product Development

Yuan-Tao Liu; Le-Le Zhang; Zi-Ying Jiang; Xian-Shu Tian; Peng-Lin Li; Pei-Huang Wu; Wen-Ting Du; Bo-Yu Yuan; Chu Xie; Guo-Long Bu; Lan-Yi Zhong; Yan-Lin Yang; Ting Li; Mu-Sheng Zeng; Cong Sun

doi:10.1002/mco2.70317

MedComm ›› 2025, Vol. 6 ›› Issue (8) : e70317 DOI: 10.1002/mco2.70317

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Applications of Artificial Intelligence in Biotech Drug Discovery and Product Development

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Abstract

Artificial intelligence (AI) is revolutionizing biotechnology by transforming the landscape of therapeutic development. Traditional drug discovery faces persistent challenges, including high attrition rates, billion-dollar costs, and timelines exceeding a decade. Recent advances in AI—particularly generative models such as generative adversarial networks, variational autoencoders, and diffusion models—have introduced data-driven, iterative workflows that dramatically accelerate and enhance pharmaceutical R&D. However, a comprehensive synthesis of how AI technologies reshape each key modality of drug discovery remains lacking. This review systematically examines AI-enabled breakthroughs across four major therapeutic platforms: small-molecule drug design, protein binder discovery, antibody engineering, and nanoparticle-based delivery systems. It highlights AI's ability to achieve >75% hit validation in virtual screening, design protein binders with sub-Ångström structural fidelity, enhancing antibody binding affinity to the picomolar range, and optimize nanoparticles to achieve over 85% functionalization efficiency. We further discuss the integration of high-throughput experimentation, closed-loop validation, and AI-guided optimization in expanding the druggable proteome and enabling precision medicine. By consolidating cross-domain advances, this review provides a roadmap for leveraging machine learning to overcome current biopharmaceutical bottlenecks and accelerate next-generation therapeutic innovation.

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artificial intelligence / drug discovery / protein engineering

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Yuan-Tao Liu, Le-Le Zhang, Zi-Ying Jiang, Xian-Shu Tian, Peng-Lin Li, Pei-Huang Wu, Wen-Ting Du, Bo-Yu Yuan, Chu Xie, Guo-Long Bu, Lan-Yi Zhong, Yan-Lin Yang, Ting Li, Mu-Sheng Zeng, Cong Sun. Applications of Artificial Intelligence in Biotech Drug Discovery and Product Development. MedComm, 2025, 6(8): e70317 DOI:10.1002/mco2.70317

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