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View all- Ucak UAshyrmamatov ILee J(2023)Reconstruction of lossless molecular representations from fingerprintsJournal of Cheminformatics10.1186/s13321-023-00693-015:1Online publication date: 23-Feb-2023
- Yang NZeng KWu QJia XYan JKoyejo SMohamed SAgarwal ABelgrave DCho KOh A(2022)Learning substructure invariance for out-of-distribution molecular representationsProceedings of the 36th International Conference on Neural Information Processing Systems10.5555/3600270.3601212(12964-12978)Online publication date: 28-Nov-2022