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News/Autonomous Chemical Mechanistic Discovery through Agentic Reasoning and Validation
arxiv
PublishedSeptember 12, 2026 at 4:00 AM
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Autonomous Chemical Mechanistic Discovery through Agentic Reasoning and Validation

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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 heavily on expert intervention. Here we introduce ARCHE, an autonomous agentic system that

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