ArticleCurrent organic synthesis2025
Exploring Neighborhood Topological Descriptors for Quantitative Structure-property Relationship (QSPR) Analysis and Entropy Measures of Some Anti-cancer Drugs.
Article in Current organic synthesis, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.
What it found
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Who cites it
3 citing papers in PubMed.
- Prediction of physicochemical properties of organic compounds using degree-based topological indices and machine learning models.Scientific reports · 2026Article
- Prediction of properties of some drugs used in the treatment of bipolar disorder via various Zagreb indices.Scientific reports · 2026Article
- Enhancing bioinformatics engineering by utilizing graph therapeutic properties for clinically approved antitoxin drugs in zoonotic diseases.Scientific reports · 2026Article
Corrections and comments
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Authors and funding
4 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
backgroundThis study investigated many cancer medicines using a wide range of degree sum-based topological indices and entropy. These numerical numbers, commonly referred to as topological indices or molecular descriptors, depict a substance's molecular structure. They have been successfully used to properly reflect different physicochemical properties in a number of Quantitative Structure-Property Relationship (QSPR) and Quantitative Structure-Activity Relationship (QSAR) research studies.
objectiveThe purpose of the study was to investigate the relationships between topological neighborhood indices and physicochemical properties using the QSPR model and linear regression methodology.
methodsWe employed linear regression methodology within the QSPR model to examine the connections between physicochemical characteristics and topological neighborhood indices.
resultsThe results revealed a significant correlation between the neighborhood indices under scrutiny and the physicochemical features of the potential drugs under investigation.
conclusionAs a result, both neighborhood topological indices and entropy demonstrate potential as valuable tools for future QSPR investigations when evaluating anticancer medications.
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