Harnessing AI for precision medicine and its applications in genomics, systems pharmacology, and drug discovery

Abstract

Artificial intelligence and machine learning are revolutionizing pharmaceutical research by enabling the rapid analysis of complex datasets and automating critical tasks throughout the drug-development process. In this review, we surveyed how artificial intelligence accelerated target identification, guided lead-compound design and enhanced safety and efficacy profiling through predictive ADMET modeling and PK/PD simulations. We also explored downstream applications, including modelling complex biological interactions and leveraging real-world clinical data, while emphasizing the essential requirements for model validation and interpretability. While still in its early stages, AI in pharmacology is poised for rapid progress, driving future innovations.