Revolutionizing drug formulation development: The increasing impact of machine learning

Abstract

Over the past few years, the adoption of machine learning (ML) techniques has rapidly expanded across many fields of research including formulation science. At the same time, the use of lipid nanoparticles to enable the successful delivery of mRNA vaccines in the recent COVID-19 pandemic demonstrated the impact of formulation science. Yet, the design of advanced pharmaceutical formulations is non-trivial and primarily relies on costly and time-consuming wet-lab experimentation. In 2021, our group published a review article focused on the use of ML as a means to accelerate drug formulation development. Since then, the field has witnessed significant growth and progress, reflected by an increasing number of studies published in this area. This updated review summarizes the current state of ML directed drug formulation development, introduces advanced ML techniques that have been implemented in formulation design and shares the progress on making self-driving laboratories a reality. Furthermore, this review highlights several future applications of ML yet to be fully exploited to advance drug formulation research and development.

Keywords: Active learning; Drug delivery; Drug development; Machine learning.