PharmAgents2 autonomous system advances drug discovery

Researchers introduce PharmAgents2, an autonomous system for end-to-end drug discovery that combines knowledge-enhanced decision-making with organized large-scale exploration. In real-world studies, the system generated findings subsequently supported by human-executed experiments, including hypothesizing a novel allosteric site for LpxH and identifying a new binding target. The system represents a prototype of a virtual pharmaceutical company, marking a step toward autonomous end-to-end drug discovery. Open article →