Atom-anchored chain-of-thought prompting enables general LLMs to reach ≥90% accuracy on reaction-site identification and ≥74% on reactant prediction for single-step retrosynthesis on benchmarks and drug-like molecules.
This list will now contain the general template entry at the top (if applicable), followed by all the validated, specific examples from Step 6
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Atom-anchored LLMs speak Chemistry: A Retrosynthesis Demonstration
Atom-anchored chain-of-thought prompting enables general LLMs to reach ≥90% accuracy on reaction-site identification and ≥74% on reactant prediction for single-step retrosynthesis on benchmarks and drug-like molecules.