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Filtering by: Keyword chromophore Keyword De novo molecule generation Publisher National Institute for Materials Science

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

Description/Abstract:

AIを用いた機能性有機化合物の開発。

Keyword:

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

Resource Type:

Article

Author:

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

Date Uploaded:

15/02/2023

Date Modified:

20/03/2024