Deep learning workflow for the inverse design of molecules with specific optoelectronic properties

The inverse design of novel molecules with a desirable optoelectronic property requires consideration of the vast chemical spaces associated with varying chemical composition and molecular size. First principles-based property predictions have become increasingly helpful for assisting the selection...

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Detalles Bibliográficos
Autores principales: Yoo, Pilsun, Bhowmik, Debsindhu, Mehta, Kshitij, Zhang, Pei, Liu, Frank, Lupo Pasini, Massimiliano, Irle, Stephan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10654498/
https://www.ncbi.nlm.nih.gov/pubmed/37973879
http://dx.doi.org/10.1038/s41598-023-45385-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10654498/
https://www.ncbi.nlm.nih.gov/pubmed/37973879
http://dx.doi.org/10.1038/s41598-023-45385-9

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