Xuyang Liu

Xuyang Liu

Nankai University - Tianjin / China
Engineering & Technology / Computer Science
AD Scientific Index ID: 5284696
南开大学
person_outline Xuyang Liu's MOST POPULAR ARTICLES
1-) Deep learning in spectral analysis: Modeling and imagingX Liu, H An, W Cai, X ShaoTrAC Trends in Analytical Chemistry, 117612, 2024102024
2-) Spectral encoder to extract the features of near-infrared spectra for multivariate calibrationC Duan, X Liu, W Cai, X ShaoJournal of Chemical Information and Modeling 62 (16), 3695-3703, 2022102022
3-) Analyzing molecular dynamics trajectories thermodynamically through artificial intelligenceX Liu, J Xing, H Fu, X Shao, W CaiJournal of Chemical Theory and Computation 20 (2), 665-676, 2024
4-) Explainable Graph Neural Networks with Data Augmentation for Predicting pKa of C–H AcidsH An, X Liu, W Cai, X ShaoJournal of Chemical Information and Modeling 64 (7), 2383-2392, 202372023
5-) AttenGpKa: a universal predictor of solvation acidity using graph neural network and molecular topologyH An, X Liu, W Cai, X ShaoJournal of Chemical Information and Modeling 64 (14), 5480-5491, 2024