SynthEx, an LLM agent that writes template-free atom-level graph edits, returns complete routes for 63.9% of 1,098 synthesis-free natural products (vs 13.8% for a near-exhaustive template planner), and blinded experts rated its key steps on par with human syntheses.
Elsevier, Amsterdam (2021)
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Strategy-first synthesis planning for complex natural products
SynthEx, an LLM agent that writes template-free atom-level graph edits, returns complete routes for 63.9% of 1,098 synthesis-free natural products (vs 13.8% for a near-exhaustive template planner), and blinded experts rated its key steps on par with human syntheses.