AI Drug Discovery: Expanding the Horizons of Infectious Disease Therapeutics.
Journal:
ACS infectious diseases
Published Date:
Aug 8, 2025
Abstract
Drug discovery and development for infectious diseases has transformed from phenotypic screening to rational design, and now embracing artificial intelligence (AI) to accelerate and optimize therapeutic development. We describe our use of AI to analyze vast and diverse data sets to generate therapeutic hypotheses and identify novel drug targets. We discuss generative design, active learning and automation. Finally we cover the use of AI in development. We believe that decoding biology and industrializing discovery through AI and automation is revolutionizing drug discovery in general, and has the potential to deliver improved patient outcomes and global health benefits in infectious diseases.
