LLM agents reach only 50.6% accuracy on chemical cost estimation within 25% error even with tools, dropping with noise due to parsing, pack selection, and tool-use failures.
Askcos: open-source, data-driven synthesis planning.Accounts of chemical research, 58(11):1764–1775
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Can Agents Price a Reaction? Evaluating LLMs on Chemical Cost Reasoning
LLM agents reach only 50.6% accuracy on chemical cost estimation within 25% error even with tools, dropping with noise due to parsing, pack selection, and tool-use failures.