Extracting Structural Information from Physicochemical Property Measurements Using Machine Learning—A New Approach for Structure Elucidation in Non-targeted Analysis

[Image: see text] Non-targeted analysis (NTA) has made critical contributions in the fields of environmental chemistry and environmental health. One critical bottleneck is the lack of available analytical standards for most chemicals in the environment. Our study aims to explore a novel approach tha...

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Detalles Bibliográficos
Autores principales: Abrahamsson, Dimitri, Brueck, Christopher L., Prasse, Carsten, Lambropoulou, Dimitra A., Koronaiou, Lelouda-Athanasia, Wang, Miaomiao, Park, June-Soo, Woodruff, Tracey J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10569036/
https://www.ncbi.nlm.nih.gov/pubmed/37746919
http://dx.doi.org/10.1021/acs.est.3c03003

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