Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring

Article

Creator

Takehiro Fujita ; Kei Terayama ; Masato Sumita ; Ryo Tamura ; Yasuyuki Nakamura ; Masanobu Naito ; Koji Tsuda

Keyword

characteristic functional group monitoring, chromophore, De novo molecule generation, deep learning

Date published

2022-12-31

Updated at

2024-01-05 22:13:36 +0900