RxnOptBench: Benchmarking LLMs for Reaction-Condition Optimization in Organic Methodology
Chemical reaction-condition optimization -- choosing the catalyst, ligand, solvent, reagent, temperature, time, and atmosphere that jointly maximize yield and stereoselectivity -- is a central, judgement-laden subtask of organic methodology research that large language models are increasingly expected to support. Yet e...
Ling-Li Ge, Yu-Bin Wang, Jun-Yuan Gao et al.
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