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Developing a QSPR model for Alzheimer’s drugs using topological indices and M-polynomial: A computational study

Abstract Topological indices, which are numerical descriptors that encode molecular structure, are widely used in computational drug discovery due to their efficiency and interpretability. In this study, we developed a robust quantitative structure–property relationship (QSPR) framework to predict t...

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Kaydedildi:
Asıl Yazarlar: Mohammad Hadi Akhbari, Fateme Movahedi, Mahsa Zameni, Mohammad Hassan Shahavi
Materyal Türü: Artigo
Dil:Inglês
Baskı/Yayın Bilgisi: Nature Portfolio 2025-12-01
Seri Bilgileri:Scientific Reports
Konular:
QSPR model
M-polynomial
Topological index
Regression model
Physicochemical property
Online Erişim:https://doi.org/10.1038/s41598-025-31486-0
Etiketler: Etiketle
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