Variational autoencoder-based chemical latent space for large molecular structures with 3D complexity
基于变分自编码器的具有三维复杂性的大型分子结构的化学潜在空间
期刊:Communications Chemistry
影响因子:6.2
doi:10.1038/s42004-023-01054-6
Ochiai, Toshiki; Inukai, Tensei; Akiyama, Manato; Furui, Kairi; Ohue, Masahito; Matsumori, Nobuaki; Inuki, Shinsuke; Uesugi, Motonari; Sunazuka, Toshiaki; Kikuchi, Kazuya; Kakeya, Hideaki; Sakakibara, Yasubumi