Toward Autonomous Antibiotic Discovery

Machines hold the potential to replace humans in many societal endeavors, and drug discovery is no exception. Antibiotic innovation has been stalled for decades, which has coincided with an alarming increase in multidrug-resistant bacteria. Since the beginning of the antibiotic era, the natural world has been our greatest innovator, giving rise to nearly all antibiotics available today. As mere observers of the vast molecular diversity produced by Earth’s organisms, we have perfected the art of isolating novel chemistries with life-saving antimicrobial properties. However, today we are at a crossroads, as no new molecular scaffolds have been discovered for decades. We may need to look beyond the natural world into the virtual dimension for solutions and harness present-day computational power to help solve the grand global health challenge of antibiotic resistance. Computer-made drugs may enable the discovery of unprecedented functions in biological systems and help replenish our arsenal of effective antibiotics.