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Generative organic electronic molecular design informed by quantum chemistry
Generative molecular design strategies have emerged as promising alternatives to trial-and-error approaches for exploring and optimizing within large chemical spaces. To date, generative models with reinforcement learning approaches have frequently used low-cost methods to evaluate the quality of th...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2023
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10583709/ https://www.ncbi.nlm.nih.gov/pubmed/37860647 http://dx.doi.org/10.1039/d3sc03781a |