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Explainable Graph Neural Networks with Data Augmentation for Predicting pKa of C-H Acids.

H. An, X. Liu, W. Cai, and X. Shao. J. Chem. Inf. Model., 64 (7): 2383-2392 (2024)

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Hua Shao

Li Shao

Junyang Shao

Hua Shao

Yaping Shao

Other publications of authors with the same name

Continuous Wavelet Transform Applied to Removing the Fluctuating Background in Near-Infrared Spectra.C. Ma, and X. Shao. Journal of Chemical Information and Modeling, 44 (3): 907-911 (2004)Impact of different potentials on the structures and energies of clusters.Z. Ma, W. Cai, and X. Shao. J. Comput. Chem., 32 (14): 3075-3080 (2011)BFEE: A User-Friendly Graphical Interface Facilitating Absolute Binding Free-Energy Calculations.H. Fu, J. Gumbart, H. Chen, X. Shao, W. Cai, and C. Chipot. J. Chem. Inf. Model., 58 (3): 556-560 (2018)Hyperactive Antifreeze Proteins Promote Ice Growth before Binding to It.S. Cui, W. Zhang, X. Shao, and W. Cai. J. Chem. Inf. Model., 62 (21): 5165-5174 (2022)Selecting significant genes by randomization test for cancer classification using gene expression data.Z. Mao, W. Cai, and X. Shao. J. Biomed. Informatics, 46 (4): 594-601 (2013)Explainable Graph Neural Networks with Data Augmentation for Predicting pKa of C-H Acids.H. An, X. Liu, W. Cai, and X. Shao. J. Chem. Inf. Model., 64 (7): 2383-2392 (2024)A dynamic lattice searching method with interior operation for unbiased optimization of large Lennard-Jones clusters.X. Shao, X. Yang, and W. Cai. J. Comput. Chem., 29 (11): 1772-1779 (2008)A variable selection method based on uninformative variable elimination for multivariate calibration of near-infrared spectraW. Cai, Y. Li, and X. Shao. Chemometrics and Intelligent Laboratory Systems, 90 (2): 188-194 (2008)Achieving Accurate Standard Protein-Protein Binding Free Energy Calculations through the Geometrical Route and Ergodic Sampling.H. Fu, C. Chipot, X. Shao, and W. Cai. J. Chem. Inf. Model., 63 (8): 2512-2519 (April 2023)Modulation of membrane permeability by carbon dioxide.H. Zhang, X. Shao, F. Dehez, W. Cai, and C. Chipot. J. Comput. Chem., 41 (5): 421-426 (2020)

BibSonomy

Disambiguation of "Shao, Xueguang"

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Explainable Graph Neural Networks with Data Augmentation for Predicting pKa of C-H Acids.

Please choose a person to relate this publication to

Hua Shao

Li Shao

Junyang Shao

Hua Shao

Yaping Shao

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Shao, Xueguang"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML Explainable Graph Neural Networks with Data Augmentation for Predicting pKa of C-H Acids.

Please choose a person to relate this publication to

Hua Shao

Li Shao

Junyang Shao

Hua Shao

Yaping Shao

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

Explainable Graph Neural Networks with Data Augmentation for Predicting pKa of C-H Acids.