Author

Bo-Yu Zhu

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#artificial intelligence Review Sep 2026

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. · 0 citations

#natural language process... Preprint Sep 2026

DianShi-RxnDB: A Large-Scale, Fine-Grained Organic Reaction Data Platform Built via a Fully Automated Pipeline for Researchers and AI Agents

D DianShi-RxnDB is presented, a large-scale, fine-grained organic reaction data platform built via a fully automated extraction and normalization pipeline integrating patent text, images, and reaction schemes integrating patent text, images, and reaction schemes.

Yu-Bin Wang, Xing-Jian Wei, Jiang Wu et al. · 0 citations