76 citations · 116 across the 2 of their papers we have counts for
2 papers
physics.data-an2022★ 76 cited
Retention Time Prediction for Chromatographic Enantioseparation by Quantile Geometry-enhanced Graph Neural Network
Hao Xu, Jinglong Lin, Dongxiao Zhang +1
A new research framework is proposed to incorporate machine learning techniques into the field of experimental chemistry to facilitate chromatographic enantioseparation. A document…
physics.chem-ph2022★ 40 cited
High-throughput discovery of chemical structure-polarity relationships combining automation and machine learning techniques
Hao Xu, Jinglong Lin, Qianyi Liu +7
As an essential attribute of organic compounds, polarity has a profound influence on many molecular properties such as solubility and phase transition temperature. Thin layer chrom…