Artificial intelligence in nano drug delivery: From formulation design to clinical translation

Nano drug delivery systems offer tremendous potential for addressing complex health challenges through targeted therapeutics and personalized medicine. However, their development remains inherently complex, involving the integration of diverse material properties, biological interactions, and manufacturing requirements. As these delivery platforms grow in sophistication, traditional experimental approaches are often insufficient for rapid optimization, scalability, and clinical translation.

This presentation explores the emerging role of Artificial Intelligence (AI) and Machine Learning (ML) in accelerating the development of nano drug delivery systems—from early formulation design to preclinical evaluation and clinical decision-making. Drawing from recent research and published findings, we examine how AI/ML tools can support data-driven material selection, optimize formulation parameters, predict biological behavior, and streamline manufacturing processes.

Case studies are presented to illustrate how AI/ML approaches enable intelligent modeling of structure– function relationships, enhance prediction of bioavailability and toxicity, and facilitate the selection of viable clinical candidates. These tools also hold promises for adaptive trial design and personalized nanomedicine development.

The talk concludes with a discussion of current challenges in implementing AI across regulatory and experimental frameworks, and the outlook for integrating data science with nano drug delivery research. This interdisciplinary perspective aims to bridge the gap between materials science, pharmaceutical R&D, and computational modeling to foster more efficient and translational nanotherapeutic development.

Dr. Mitra Mosharraf is Chief Scientific Officer at HTD Biosystems and cofounder of Engimata Inc., with prior scientific leadership roles at Pharmacia, Pfizer, and Santen. She holds a Ph.D. in Pharmaceutical Sciences (Uppsala University), an MBA from MIT, and certificates in Business Analytics, AI in Biotech and Pharma (MIT), and Executive Leadership (Cornell). Dr. Mosharraf is an inventor on six patents related to liposomal vaccines and nanocrystals, co-author of over 20 publications, and the 2024–2025 Chair of the AAPS Nanotechnology Community.