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Combining machine learning and high-throughput experimentation to discover photocatalytically active organic molecules
Light-absorbing organic molecules are useful components in photocatalysts, but it is difficult to formulate reliable structure–property design rules. More than 100 million unique chemical compounds are documented in the PubChem database, and a significant sub-set of these are π-conjugated, light-abs...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8372320/ https://www.ncbi.nlm.nih.gov/pubmed/34476057 http://dx.doi.org/10.1039/d1sc02150h |