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Filtering by: Author Masato Sumita Keyword De novo molecule generation Publisher National Institute for Materials Science

1. 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