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Combining machine learning and quantum chemical calculations for high-throughput virtual screening of thermally activated delayed fluorescence molecular materials: the impact of selection strategy and structural mutations
In view of the theoretical importance and huge application potential of Thermally Activated Delayed Fluorescence (TADF) materials, it is of great significance to conduct High-Throughput Virtual Screening (HTVS) on compound libraries to find TADF candidate molecules. This research focuses on the comp...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9619240/ https://www.ncbi.nlm.nih.gov/pubmed/36349007 http://dx.doi.org/10.1039/d2ra05643g |