Atom-Based Machine Learning Model for Quantitative Property–Structure Relationship of Electronic Properties of Fusenes and Substituted Fusenes

[Image: see text] This study presents the development of machine-learning-based quantitative structure–property relationship (QSPR) models for predicting electron affinity, ionization potential, and band gap of fusenes from different chemical classes. Three variants of the atom-based Weisfeiler–Lehm...

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Detalles Bibliográficos
Autores principales: Nguyen, Tuan H., Le, Khang M., Nguyen, Lam H., Truong, Thanh N.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10586267/
https://www.ncbi.nlm.nih.gov/pubmed/37867641
http://dx.doi.org/10.1021/acsomega.3c05212

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10586267/
https://www.ncbi.nlm.nih.gov/pubmed/37867641
http://dx.doi.org/10.1021/acsomega.3c05212

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