Machine learning of spectra-property relationship for imperfect and small chemistry data

Machine learning (ML) is causing profound changes to chemical research through its powerful statistical and mathematical methodological capabilities. However, the nature of chemistry experiments often sets very high hurdles to collect high-quality data that are deficiency free, contradicting the nee...

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Detalles Bibliográficos
Autores principales: Chong, Yuanyuan, Huo, Yaoyuan, Jiang, Shuang, Wang, Xijun, Zhang, Baichen, Liu, Tianfu, Chen, Xin, Han, TianTian, Smith, Pieter Ernst Scholtz, Wang, Song, Jiang, Jun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: National Academy of Sciences 2023
Materias:
Physical Sciences
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10193941/
https://www.ncbi.nlm.nih.gov/pubmed/37155896
http://dx.doi.org/10.1073/pnas.2220789120

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10193941/
https://www.ncbi.nlm.nih.gov/pubmed/37155896
http://dx.doi.org/10.1073/pnas.2220789120

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