Predicting Antibacterial Drugs Properties Using Graph Topological Indices and Machine Learning

Predicting Antibacterial Drugs Properties Using Graph Topological Indices and Machine Learning

Quantitative Structure-Property Relationship (QSPR) modeling is one of the novel ways of predicting the physicochemical properties of a drug through its molecular descriptor (topological index (TI)). This study aims to predict the physical properties of antibacterial drugs by utilizing neighborhood...

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Bibliographic Details
Main Authors: Muhammad Shafii Abubakar, Ejima Ojonugwa, Ridwan A. Sanusi, Abdulkarim Hassan Ibrahim, Kazeem Olalekan Aremu
Format: Article
Language:English
Published: IEEE 2024-01-01
Series:IEEE Access
Subjects:
Antibacterial drugs
neighborhood sum degree
QSPR model
SMILES
support vector regression
topological indices
Online Access:https://ieeexplore.ieee.org/document/10759677/
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