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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...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American
Chemical Society
2018
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6161049/ https://www.ncbi.nlm.nih.gov/pubmed/30276245 http://dx.doi.org/10.1021/acscentsci.8b00213 |