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

open access: yesFrontiers in Physics
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 ...
Ali Raza, Muhammad Mobeen Munir
doaj   +1 more source

Equivalence between spectral properties of graphs with and without loops

open access: yes, 2018
In this paper we introduce a spectra preserving relation between graphs with loops and graphs without loops. This relation is achieved in two steps.
Andreotti, Eleonora   +2 more
core  

Dissecting molecular network structures using a network subgraph approach. [PDF]

open access: yesPeerJ, 2020
Huang CH   +5 more
europepmc   +1 more source

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