Journal article
Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring
Takehiro Fujita
(author)
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National Institute for Materials Science
;
Kei Terayama
(author)
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Masato Sumita
(author)
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Ryo Tamura
(author)
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National Institute for Materials Science
;
Yasuyuki Nakamura
(author)
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National Institute for Materials Science
;
Masanobu Naito
(author)
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National Institute for Materials Science
;
Koji Tsuda
(author)
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Collection
Citation
Takehiro Fujita, Kei Terayama, Masato Sumita, Ryo Tamura, Yasuyuki Nakamura, Masanobu Naito, Koji Tsuda.
Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring.
SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS.
2022,
23
(1),
352-360.
https://doi.org/10.1080/14686996.2022.2075240
Description:
(abstract)AIを用いた機能性有機化合物の開発。
Rights:
Keyword: characteristic functional group monitoring, chromophore, De novo molecule generation, deep learning
Date published: 2022-12-31
Publisher:
Journal:
- SCIENCE AND TECHNOLOGY OF ADVANCED MATERIALS (ISSN: 14686996) vol. 23 issue. 1 p. 352-360
Funding:
Manuscript type: Publisher's version (Version of record)
MDR DOI:
First published URL: https://doi.org/10.1080/14686996.2022.2075240
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Updated at: 2024-01-05 22:13:36 +0900
Published on MDR: 2023-02-15 10:23:59 +0900
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