Application of Large Language Models in Chemistry Reaction Data Extraction and Cleaning. - Xiaobao Huang; Mihir Surve; Yuhan Liu; Tengfei Luo; Olaf Wiest; Xiangliang Zhang 001; Nitesh V. Chawla (CIKM, 2024)

Can LLMs Solve Molecule Puzzles? A Multimodal Benchmark for Molecular Structure Elucidation. - Kehan Guo; Bozhao Nan; Yujun Zhou 002; Taicheng Guo; Zhichun Guo; Mihir Surve; Zhenwen Liang; Nitesh V. Chawla; Olaf Wiest; Xiangliang Zhang 001 (NeurIPS, 2024)

Artificial Intelligence in Spectroscopy: Advancing Chemistry from Prediction to Generation and Beyond. - Kehan Guo; Yili Shen; Gisela Abigail Gonzalez-Montiel; Yue Huang 001; Yujun Zhou 002; Mihir Surve; Zhichun Guo; Prayel Das; Nitesh V. Chawla; Olaf Wiest; Xiangliang Zhang 001 (CoRR, 2025)