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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...

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Detalles Bibliográficos
Autores principales:	Li, Xiaobo, Maffettone, Phillip M., Che, Yu, Liu, Tao, Chen, Linjiang, Cooper, Andrew I.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Royal Society of Chemistry 2021
Materias:	Chemistry
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

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