Introduction

It may seem intuitive that AI and deep learning can speed up workflows — including novel drug discovery, a typically years-long and several-billion-dollar endeavor. But professors Artem Cherkasov and Olexandr Isayev were surprised to find that no recent academic papers provided a comprehensive, global research review of how deep learning and GPU-accelerated computing impact drug discovery. In March, they published a paper in Nature to fill this gap, presenting an up-to-date review of the state of the art for GPU-accelerated drug discovery techniques. Cherkasov, a professor in the department of urologic sciences at the University of British Columbia, and Isayev, an assistant professor of chemistry at Carnegie Mellon University, join NVIDIA AI Podcast host Noah Kravitz this week to discuss how GPUs can help democratize drug discovery. In addition, the guests cover their inspiration and process for writing the paper, talk about NVIDIA technologies that are transforming the role of AI in drug discovery, and give tips for adopting new approaches to research.