PharmAgents2 hands drug discovery to agents: it proposes a new LpxH allosteric site and the compounds pass wet-lab checks
PharmAgents2 moves drug discovery from single-task models to an end-to-end autonomous workflow: it distills transferable decision knowledge from published literature and uses parallel agents to explore target, hypothesis and strategy spaces. On the antibacterial target LpxH it autonomously hypothesized a previously unreported allosteric site and screened against it, yielding AIPher-L1 with experimentally confirmed inhibitory activity and binding; JAK1 work and secondary-target exploration for the known molecule AIPher-X were supported by cell assays and SPR experiments respectively.