REVIEW article
Front. Pharmacol.
Sec. Experimental Pharmacology and Drug Discovery
AI-Driven Pilot Platforms and Computational Pharmaceutics: Accelerating Innovation in Small Molecule Drug Development under Industry 4.0 and 5.0 Paradigms
Kaixin Luo 1
Yuhan Yang 1
Chenggong Zhong 1
Meiqi Chen 1
Jun Xiong 1
Lianyi He 1
Dingying Liu 1
Ihab Mohamed Elshoura 1
Zaid Chachar 2
Yuanzhe Cai 1
Feijuan HUANG 3
1. Shenzhen Technology University, Shenzhen, China
2. The Chinese University of Hong Kong - Shenzhen, Shenzhen, China
3. Shenzhen Second People's Hospital, Shenzhen, China
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Abstract
In the era of artificial intelligence (AI) and Industry 4.0, pilot-scale platforms for small molecule chemical drugs are undergoing a transformative digital evolution. These platforms serve as a critical link between early-stage laboratory research and full-scale pharmaceutical manufacturing, ensuring process feasibility, scalability, and regulatory compliance. This review offers a comprehensive and forward-looking analysis of the structure, function, and strategic importance of pilot-scale systems within the modern pharmaceutical landscape. Focusing on the integration of AI and intelligent automation, the study highlights innovations such as AI-driven process optimization, predictive maintenance, data integration, digital twin technologies, and continuous manufacturing. These technologies are reshaping conventional production paradigms by enhancing efficiency, improving quality control, and reducing environmental impact. The Formatted: Superscript Formatted: Subscript Formatted: Superscript convergence of computational pharmaceutics and green chemistry is also examined as a key driver of sustainable and intelligent drug development. Moreover, the review addresses the industry's transition toward Industry 5.0, characterized by human-machine collaboration, data-centric innovation, and an emphasis on sustainability. Persistent challenges such as equipment standardization gaps, data-sharing limitations, and outdated infrastructure are critically discussed. Drawing from industrial case studies, academic research, and best practices, this paper explores both the opportunities and constraints associated with AI-enabled pilot platforms. Ultimately, the review aims to inform future strategies in digital pharmaceutical manufacturing by underscoring the importance of technological innovation, regulatory alignment, and collaborative ecosystems in advancing the development, efficiency, and sustainability of small molecule drug production.
Summary
Keywords
artificial intelligence, Industry 4.0, Pilot-scale platform, Small molecule drugs, Smartpharmaceutical manufacturing
Received
11 August 2025
Accepted
26 January 2026
Copyright
© 2026 Luo, Yang, Zhong, Chen, Xiong, He, Liu, Elshoura, Chachar, Cai and HUANG. This is an open-access article distributed under the terms of the Creative Commons Attribution License (CC BY). The use, distribution or reproduction in other forums is permitted, provided the original author(s) or licensor are credited and that the original publication in this journal is cited, in accordance with accepted academic practice. No use, distribution or reproduction is permitted which does not comply with these terms.
*Correspondence: Zaid Chachar; Yuanzhe Cai; Feijuan HUANG
Disclaimer
All claims expressed in this article are solely those of the authors and do not necessarily represent those of their affiliated organizations, or those of the publisher, the editors and the reviewers. Any product that may be evaluated in this article or claim that may be made by its manufacturer is not guaranteed or endorsed by the publisher.