Exploring spectrum-based descriptors in pharmacological traits through quantitative structure property (QSPR) analysis

The study centered on Quantitative Structure Property Relationship (QSPR) analysis with a focus on various graph energies, investigating drugs like Mefloquinone, Sertraline, Niclosamide, Tizoxanide, PHA-690509, Ribavirin, Emricasan, and Sofosbuvir. Employing computational modeling techniques, the re...

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Detalhes bibliográficos

Principais autores:	Ali Raza, Muhammad Mobeen Munir
Formato:	Artigo
Idioma:	Inglês
Publicado em:	Frontiers Media S.A. 2024-02-01
Colecção:	Frontiers in Physics
Assuntos:	regression model graph spectrum spectral radius pharmacological traits correlation coefficient
Acesso em linha:	https://www.frontiersin.org/articles/10.3389/fphy.2024.1348407/full
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