Graph-theoretic and computational analysis of QSAR molecular descriptors for single chain diamond silicates

Abstract This study presents a comprehensive graph-theoretic and computational analysis of Quantitative Structure–Activity Relationship (QSAR) molecular descriptors for Single Chain Diamond Silicates (CSn), a crucial class of silicate structures defined by their unique connectivity of SiO₄ tetrahedr...

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Bibliographic Details
Published in:Discover Chemistry
Main Authors: S. Mohankumar, P. Sivakumar, S. Priyatharshni
Format: Article
Language:English
Published: Springer 2025-05-01
Subjects:
Single chain diamond silicates
QSAR molecular descriptors
Graph theory
Molecular topology
Computational chemistry
Structural modelling
Online Access:https://doi.org/10.1007/s44371-025-00186-z

Internet

https://doi.org/10.1007/s44371-025-00186-z

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