Machine Learning Spectroscopy Using a 2-Stage, Generalized Constituent Contribution Protocol

A corrected group contribution (CGC)–molecule contribution (MC)–Bayesian neural network (BNN) protocol for accurate prediction of absorption spectra is presented. Upon combination of BNN with CGC methods, the full absorption spectra of various molecules are afforded accurately and efficiently—by usi...

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Detalles Bibliográficos
Autores principales: Fan, Jinming, Qian, Chao, Zhou, Shaodong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: AAAS 2023
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10243197/
https://www.ncbi.nlm.nih.gov/pubmed/37287889
http://dx.doi.org/10.34133/research.0115

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10243197/
https://www.ncbi.nlm.nih.gov/pubmed/37287889
http://dx.doi.org/10.34133/research.0115

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