De novo creation of a naked eye–detectable fluorescent molecule based on quantum chemical computation and machine learning

Designing fluorescent molecules requires considering multiple interrelated molecular properties, as opposed to properties that straightforwardly correlated with molecular structure, such as light absorption of molecules. In this study, we have used a de novo molecule generator (DNMG) coupled with qu...

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Detalles Bibliográficos
Autores principales: Sumita, Masato, Terayama, Kei, Suzuki, Naoya, Ishihara, Shinsuke, Tamura, Ryo, Chahal, Mandeep K., Payne, Daniel T., Yoshizoe, Kazuki, Tsuda, Koji
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2022
Materias:
Physical and Materials Sciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8906732/
https://www.ncbi.nlm.nih.gov/pubmed/35263133
http://dx.doi.org/10.1126/sciadv.abj3906

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8906732/
https://www.ncbi.nlm.nih.gov/pubmed/35263133
http://dx.doi.org/10.1126/sciadv.abj3906

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