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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...
| Autores principales: | , , , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Association for the Advancement of Science
2022
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| Materias: | |
| 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 |