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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
AAAS
2023
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| Materias: | |
| 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 |