ArticleScientific reports2023
Mathematical analysis and molecular descriptors of two novel metal-organic models with chemical applications.
Article in Scientific reports, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 18 papers.
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18 citing papers in PubMed.
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- Mathematical Modeling and Estimation of Physicochemical Properties of Non-Steroidal Anti-Inflammatory DrugsCurrent organic synthesis · 2025Article
- Exploring the role of topological descriptors to predict physicochemical properties of anti-HIV drugs by using supervised machine learning algorithms.BMC chemistry · 2024Article
- Comparative study of Sombor index and its various versions using regression models for top priority polycyclic aromatic hydrocarbons.Scientific reports · 2024Article
- Computational insights into zinc silicate MOF structures: topological modeling, structural characterization and chemical predictions.Scientific reports · 2024Article
- A QSPR analysis and curvilinear regression models for various degree-based topological indices: Quinolone antibiotics.Heliyon · 2024Article
- QSPR/QSAR study of antiviral drugs modeled as multigraphs by using TI's and MLR method to treat COVID-19 disease.Scientific reports · 2024Article
- 3D molecular structural modeling and characterization of indium phosphide via irregularity topological indices.BMC chemistry · 2024Article
- Molecular structural modeling and physical characteristics of anti-breast cancer drugs via some novel topological descriptors and regression models.Current research in structural biology · 2024Article
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- Predictive modeling and regression analysis of diverse sulfonamide compounds employed in cancer therapy.Frontiers in chemistry · 2024Article
- Modified reverse degree descriptors for combined topological and entropy characterizations of 2D metal organic frameworks: applications in graph energy prediction.Frontiers in chemistry · 2024Article
- Mathematical modeling and topological graph description of dominating David derived networks based on edge partitions.Scientific reports · 2023Article
- Derivation of mathematical closed form expressions for certain irregular topological indices of 2D nanotubes.Scientific reports · 2023Article
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5 authors.
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Abstract
Metal-Organic Networks (MONs) are made by chemical molecules that contain metal ions and organic ligands. A crystalline porous solid called Metal-Organic Networks (MONs) is made up of a [Formula: see text] metal network of ions held in place by a multidentate ligand. (MONs) can be used for gas storage, purification drug delivery, gas separation, catalysis, and sensing applications. There is enormous potential for effective integration and research of MONs in diverse applications. Molecular descriptors are arithmetic measures that reveal a chemical substance's physical and chemical characteristics in its foundational network in a natural relationship. They demonstrate an important role in theoretical and ecological chemistry, and in the field of medicine. In this research, we calculated various recently discovered molecular descriptors viz. the modified version of second zagreb index, harmonic index, reciprocal randic index, modified version of forgotten topological index, redefined first zagreb topological index, redefined second zagreb topological index and redefined third zagreb topological index for two separate metal-organic networks. The numerical and graphical comparative analysis of these considered molecular descriptors are also performed.
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