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Application of Machine Learning in Developing Quantitative Structure–Property Relationship for Electronic Properties of Polyaromatic Compounds

[Image: see text] The degree of π orbital overlap (DPO) model has been demonstrated to be an excellent quantitative structure–property relationship (QSPR) that can map two-dimensional structural information of polycyclic aromatic hydrocarbons (PAHs) and thienoacenes to their electronic properties, n...

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Detalles Bibliográficos
Autores principales:	Nguyen, Tuan H., Nguyen, Lam H., Truong, Thanh N.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9261278/ https://www.ncbi.nlm.nih.gov/pubmed/35811887 http://dx.doi.org/10.1021/acsomega.2c02650

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