3 citations · 3 across the 4 of their papers we have counts for
4 papers
Intelligent Chemical Purification Technique Based on Machine Learning
Wenchao Wu, Hao Xu, Dongxiao Zhang +1
We present an innovative of artificial intelligence with column chromatography, aiming to resolve inefficiencies and standardize data collection in chemical separation and purifica…
Infrared Spectra Prediction for Diazo Groups Utilizing a Machine Learning Approach with Structural Attention Mechanism
Chengchun Liu, Fanyang Mo
Infrared (IR) spectroscopy is a pivotal technique in chemical research for elucidating molecular structures and dynamics through vibrational and rotational transitions. However, th…
Empowering Machines to Think Like Chemists: Unveiling Molecular Structure-Polarity Relationships with Hierarchical Symbolic Regression
Siyu Lou, Chengchun Liu, Yuntian Chen +1
Thin-layer chromatography (TLC) is a crucial technique in molecular polarity analysis. Despite its importance, the interpretability of predictive models for TLC, especially those d…
Deep peak property learning for efficient chiral molecules ECD spectra prediction
Hao Li, Da Long, Li Yuan +3
Chiral molecule assignation is crucial for asymmetric catalysis, functional materials, and the drug industry. The conventional approach requires theoretical calculations of electro…