نسخة أولية وصول مفتوح
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 …