Machine Learning for Predicting Chemical Potentials of Multifunctional Organic Compounds in Atmospherically Relevant Solutions

[Image: see text] We have trained the Extreme Minimum Learning Machine (EMLM) machine learning model to predict chemical potentials of individual conformers of multifunctional organic compounds containing carbon, hydrogen, and oxygen. The model is able to predict chemical potentials of molecules tha...

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Detalles Bibliográficos
Autores principales: Hyttinen, Noora, Pihlajamäki, Antti, Häkkinen, Hannu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9619930/
https://www.ncbi.nlm.nih.gov/pubmed/36259771
http://dx.doi.org/10.1021/acs.jpclett.2c02612

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9619930/
https://www.ncbi.nlm.nih.gov/pubmed/36259771
http://dx.doi.org/10.1021/acs.jpclett.2c02612

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