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Sparse Regularized Optimal Transport with Deformed q-Entropy.
Entropy (Basel). 2022 Nov 10;24(11):1634. doi: 10.3390/e24111634.
Entropy (Basel). 2022.
PMID: 36359723
Free PMC article.
Selecting molecules with diverse structures and properties by maximizing submodular functions of descriptors learned with graph neural networks.
Nakamura T, Sakaue S, Fujii K, Harabuchi Y, Maeda S, Iwata S.
Nakamura T, et al. Among authors: sakaue s.
Sci Rep. 2022 Jan 21;12(1):1124. doi: 10.1038/s41598-022-04967-9.
Sci Rep. 2022.
PMID: 35064170
Free PMC article.
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