224 | Efficient and Principled Scientific Discovery through Bayesian Optimization: A Tutorial
Zhongwei Yu, Rasul Tutunov, Alexandre Max Maraval, Zikai Xie, Zhenzhi Tan, Jiankang Wang, Bin Cao, Zijing Li, Liangliang Xu, Qi Yang*, Jun Jiang*, Sanzhong Luo*, Zhenxiao Guo*, Tongyi Zhang*, Haitham Bou-Ammar*, Jun Wang*
arXiv, 2026, 10.48550/arXiv.2604.01328
223 | ReactionSeek: LLM-Powered Literature Data Mining and Knowledge Discovery in Organic Synthesis
Jiawei Li, Minzhou Li, Qi Yang*, Sanzhong Luo*
Nature Comm., 2026, 10.1038/s41467-026-70180-1.
222 | OrgAIcat: Leveraging Literature Data for Enantioselectivity Prediction and Optimization in Organocatalysis
Qi Yang, Yidi Liu, Wenxuan Zhang, Long Zhang, Yufei Chen, Sanzhong Luo*
Chemrxiv 2026, 10.26434/10.26434/chemrxiv.10001884/v1.
221 | ScopeMap: An AI-Assisted, Human-in-the-Loop Workflow for Mapping Reaction Scope and Boundaries
Jiawei Li, Xiao Xiao, Qi Yang*, Baoguo Zhao*, Sanzhong Luo*
Chemrxiv 2026, 10.26434/chemrxiv-2026-kqz7d.
220 | Reductive iminium-ion catalysis: electrochemical β-arylation and alkenylation of enals by primary amine/nickel dual catalysis
Yingdong Duan, Fanzhu Zeng, Sanzhong Luo*
Chemrxiv 2026, 10.26434/chemrxiv-2026-4qftj.
219 | Synthetic Applicability Domain (SynAD): Navigating Chemical Space for Reliable AI-Driven Reaction Prediction
Zhenzhi Tan, Qi Yang*, Long Zhang, Sanzhong Luo*
Angew. Chem. Int. Ed. 2026, e23874, 10.1002/anie.202523874.