Index Catalog // MDR

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

Description/Abstract:: Based on available datasets prepared by numerical simulations and machine learning, maps of properties for materials that have not yet be...
Keyword:: Pareto solutions, free energy, and semiconductor
Resource Type:: Article
Author:: Ryo Tamura, Kei Terayama, Masato Sumita, and Koji Tsuda
Journal:: Physical Review Materials
Date Uploaded:: 04/10/2023
Date Modified:: 04/10/2023

Description/Abstract:: The efficient treatment of polymer waste is a major challenge to marine sustainability. It is useful to reveal the factors that dominate ...
Keyword:: PoLyInfo, polymer degradation, and rank-based machine learning
Resource Type:: Article
Author:: Weilin Yuan, Yusuke Hibi, Ryo Tamura, Masato Sumita, Yasuyuki Nakamura, Masanobu Naito, and Koji Tsuda
Journal:: Patterns
Date Uploaded:: 10/11/2023

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