ARCHE: autonomous agent for chemical mechanistic discovery (arXiv:2609.11147)
Preprint arXiv:2609.11147 (Sep 10, 2026) presents ARCHE, an autonomous agentic system for chemical mechanistic discovery combining a reasoning model, a domain chemistry model, and a tool registry. It is validated on asymmetric-catalysis TS, a radical C–I cleavage pathway, and a selectivity descriptor in Ni migratory cross-coupling; code is public.