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Hunting for Organic Molecules with Artificial Intelligence: Molecules Optimized for Desired Excitation Energies
[Image: see text] This work presents a proof-of-concept study in artificial-intelligence-assisted (AI-assisted) chemistry where a machine-learning-based molecule generator is coupled with density functional theory (DFT) calculations, synthesis, and measurement. Although deep-learning-based molecule...
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| Publicado no: | ACS Cent Sci |
|---|---|
| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
American
Chemical Society
2018
|
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6161049/ https://ncbi.nlm.nih.gov/pubmed/30276245 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscentsci.8b00213 |
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