ARCHE: an autonomous agentic system for mechanistic discovery in chemistry using integrated reasoning, chemistry modeling, and tool registry
Read the original at arxiv.org→arXiv:2609.11147v1 Announce Type: new Abstract: Unraveling reaction mechanisms is central to modern chemistry, yet automating these investigations remains challenging because computational workflows still rely...
Original headline: "Autonomous Chemical Mechanistic Discovery through Agentic Reasoning and Validation"
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- Sep 12, 04:00 UTC arXiv cs.AI lead source Autonomous Chemical Mechanistic Discovery through Agentic Reasoning and Validation