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

Recently, artificial intelligence (AI)-enabled de novo molecular generators (DNMGs) have automated molecular design based on data-driven or simulation-based property estimates. In some domains like the game of Go where AI surpassed human intelligence, humans are trying to learn from AI about the bes...

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Detalles Bibliográficos
Autores principales: Fujita, Takehiro, Terayama, Kei, Sumita, Masato, Tamura, Ryo, Nakamura, Yasuyuki, Naito, Masanobu, Tsuda, Koji
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Taylor & Francis 2022
Materias:
Materials Informatics
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9176351/
https://www.ncbi.nlm.nih.gov/pubmed/35693890
http://dx.doi.org/10.1080/14686996.2022.2075240

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9176351/
https://www.ncbi.nlm.nih.gov/pubmed/35693890
http://dx.doi.org/10.1080/14686996.2022.2075240

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