ArticleInternational journal of analytical chemistry2025
Topological Descriptors of Colorectal Cancer Drugs and Characterizing Physical Properties Via QSPR Analysis.
Article in International journal of analytical chemistry, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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4 citing papers in PubMed.
- Applications of Sombor topological indices and entropy measures for QSPR modeling of anticancer drugs: a Python-based methodology.Scientific reports · 2025Article
- A QSPR study of coronary artery disease drugs using eccentricity-based indices.Scientific reports · 2025Article
- Exploring QSPR in breast cancer drugs via entire neighborhood indices and regression models.Scientific reports · 2025Article
- Predictive modelling and ranking:Frontiers in chemistry · 2025Article
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1 author.
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Abstract
Topological descriptors and QSPR analysis are statistical techniques that are highly beneficial for analyzing various physical and chemical characteristics of molecular graphs without necessitating expensive and time-consuming laboratory experiments. The topological descriptor alters the compound to a number and helps in finding physicochemical properties. It more correctly reproduces the theoretical properties of drugs. In this article, the author investigated colorectal drugs capecitabine, leucovorin, tipiracil hydrochloride, etc. and implemented QSPR analysis. Physical qualities such as molar volume, complexity, polarity, and refractivity are the subject of the current study. The outcomes of this study allow for more effective physical property prediction through the use of QSPR models. First, we calculate Tds and secondly perform QSPR analysis. Current work on TIs and QSPR modeling shows a good correlation with physical properties. Moreover, estimated drug results depict and predict the physical properties in an efficient way.
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