3 papers
physics.chem-ph2026
RxnOptBench: Benchmarking LLMs for Reaction-Condition Optimization in Organic Methodology
Lingli Ge, Yubin Wang, Junyuan Gao +9
Chemical reaction-condition optimization -- choosing the catalyst, ligand, solvent, reagent, temperature, time, and atmosphere that jointly maximize yield and stereoselectivity --…
cs.CV2026
MinerU.Chem: A High-Precision System for Optical Chemical Structure and Reaction Recognition
Haote Yang, Jiang Wu, Jingchao Wang +42
In organic chemistry papers and patents, molecular structures, reaction schemes, and experimental conditions are often presented as molecular structure depictions, reaction diagram…
cs.AI2026
MolRecBench-Wild: A Real-World Benchmark for Optical Chemical Structure Recognition
Haote Yang, Hui Wang, Chen Zhu +14
Optical Chemical Structure Recognition (OCSR) aims to translate molecular diagrams in scientific literature into machine-readable formats, but current systems remain unreliable on…