ArticleMolecules (Basel, Switzerland)2023
Evaluation of the Usefulness of Topological Indices for Predicting Selected Physicochemical Properties of Bioactive Substances with Anti-Androgenic and Hypouricemic Activity.
Article in Molecules (Basel, Switzerland), 2023. 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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Who cites it
4 citing papers in PubMed.
- Ranking Antidiabetic Drugs Using a Multi-criteria Decision-making Approach Based on Domination Distance-based Topological Indices and QSPR Modeling.Current organic synthesis · 2026Article
- Use of TLC and Computational Methods to Determine Lipophilicity Parameters of Selected Neuroleptics: Comparison of Experimental and Theoretical Studies.Pharmaceuticals (Basel, Switzerland) · 2025Article
- Omega Indices of Strong and Lexicographic Products of Graphs.Current organic synthesis · 2025Article
- Predicting blood-brain barrier permeability of molecules with a large language model and machine learning.Scientific reports · 2024Article
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Authors and funding
3 authors.
Funding
Abstract
Due to the observed increase in the importance of computational methods in determining selected physicochemical parameters of biologically active compounds that are key to understanding their ADME/T profile, such as lipophilicity, there is a great need to work on accurate and precise in silico models based on some structural descriptors, such as topological indices for predicting lipophilicity of certain anti-androgenic and hypouricemic agents and their derivatives, for which the experimental lipophilicity parameter is not accurately described in the available literature, e.g., febuxostat, oxypurinol, ailanthone, abiraterone and teriflunomide. Therefore, the following topological indices were accurately calculated in this paper: Gutman (M, M
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