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Accounts of Chemical Research|December 22, 2025
Automation and AI-Powered Prediction in Chromatographic SeparationChengchun Liu, Fanyang Mo
Precision Chemistry|June 26, 2026
Infrared Spectra Prediction for a Carbonyl Group Utilizing a Graph Network ApproachJie Shi, Chengchun Liu, Fanyang Mo
Journal of Chemical Theory and Computation|July 12, 2026
A Cross-Domain Graph Learning Protocol for Single-Step Molecular Geometry RefinementChengchun Liu, Wendi Cai, Boxuan Zhao, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)|January 7, 2026
Unsupervised Hierarchical Symbolic Regression for Interpretable Property Modeling in Complex Multi-Variable SystemsSiyu Lou, Chengchun Liu, Dongxiao Zhang, et al.
Journal of Chemical Information and Modeling|February 25, 2026
Cycle-MS: A Closed-Loop End-to-End Framework for Mass Spectrometry Structure ElucidationJinglong Lin, Hao Li, Chengchun Liu, et al.
Scientific Data|October 14, 2025
Computed ECD spectral data for over 10,000 chiral organic small moleculesDa Long, Zhihao Li, Xin Xu, et al.
Chemical Communications (Cambridge, England)|May 12, 2021
Transition metal- and light-free radical borylation of alkyl bromides and iodides using silaneBeiqi Sun, Sihan Zheng, Fanyang Mo
The Journal of Organic Chemistry|December 24, 2014
Cholate-based synthesis of size-tunable cage compoundsLingling Peng, Fanyang Mo, Qinghai Zhang
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