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

Journal article

Creator

Takehiro Fujita (author) (Search by this author)

https://orcid.org/0000-0001-9071-7133

National Institute for Materials Science

Takehiro Fujita ;

Kei Terayama (author) (Search by this author)

Kei Terayama ;

Masato Sumita (author) (Search by this author)

Masato Sumita ;

Ryo Tamura (author) (Search by this author)

https://orcid.org/0000-0002-0349-358X

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

Ryo Tamura ;

Yasuyuki Nakamura (author) (Search by this author)

https://orcid.org/0000-0003-0078-6413

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

Yasuyuki Nakamura ;

Masanobu Naito (author) (Search by this author)

https://orcid.org/0000-0001-7198-819X

National Institute for Materials Science

NIMS Researchers Directory SAMURAI

Masanobu Naito ;

Koji Tsuda (author) (Search by this author)

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