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2021 | 1 |
2022 | 1 |
2024 | 0 |
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Multi-instance learning of graph neural networks for aqueous pKa prediction.
Bioinformatics. 2022 Jan 12;38(3):792-798. doi: 10.1093/bioinformatics/btab714.
Bioinformatics. 2022.
PMID: 34643666
Free PMC article.
A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modeling.
Wang D, Yu J, Chen L, Li X, Jiang H, Chen K, Zheng M, Luo X.
Wang D, et al.
J Cheminform. 2021 Sep 20;13(1):69. doi: 10.1186/s13321-021-00551-x.
J Cheminform. 2021.
PMID: 34544485
Free PMC article.
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