1 citations · 2 across the 5 of their papers we have counts for
7 papers
RxnExBench: Benchmarking Vision-Language Models for Structured Chemical Reaction Extraction from Scientific Literature
Jiaxing Sun, Junyuan Gao, Ruikang Zhang +16
Screen Tables and Substrate Scopes are information-dense figures widely used in synthetic chemistry literature, yet automated extraction of structured reaction data from them remai…
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 --…
DianShi-RxnDB: A Large-Scale, Fine-Grained Organic Reaction Data Platform Built via a Fully Automated Pipeline for Researchers and AI Agents
Yubin Wang, Xingjian Wei, Jiang Wu +32
High-quality structured organic reaction data are essential for developing artificial intelligence for chemistry (AI4Chem), yet much of this knowledge remains dispersed across pate…
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…
ChemBOMAS: Accelerated BO in Chemistry with LLM-Enhanced Multi-Agent System
Dong Han, Zhehong Ai, Pengxiang Cai +16
Bayesian optimization (BO) is a powerful tool for scientific discovery in chemistry, yet its efficiency is often hampered by the sparse experimental data and vast search space. Her…
GTR-CoT: Graph Traversal as Visual Chain of Thought for Molecular Structure Recognition
Jingchao Wang, Yifan He, Haote Yang +10
Optical Chemical Structure Recognition (OCSR) is essential for converting molecular images into machine-readable formats. While recent vision-language models (VLMs) have shown prom…
Reasoning BO: Enhancing Bayesian Optimization with Long-Context Reasoning Power of LLMs
Zhuo Yang, Daolang Wang, Lingli Ge +3
Many real-world scientific and industrial applications require the optimization of expensive black-box functions. Bayesian Optimization (BO) provides an effective framework for suc…