Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity.
Ochiai T, Inukai T, Akiyama M, Furui K, Ohue M, Matsumori N, Inuki S, Uesugi M, Sunazuka T, Kikuchi K, Kakeya H, Sakakibara Y.
Ochiai T, et al. Among authors: sakakibara y.
Commun Chem. 2023 Nov 16;6(1):249. doi: 10.1038/s42004-023-01054-6.
Commun Chem. 2023.
PMID: 37973971
Free PMC article.