Shamaila Yousaf

University of Gujrat — Pakistan

Computer Science · Physical Sciences

6h-index75citations22works2.52yr avg
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Research Topics

Computational Drug Discovery Methods(18), Graph theory and applications(17), Free Radicals and Antioxidants(7), Synthesis and Properties of Aromatic Compounds(4), History and advancements in chemistry(3)

Publications22 total

Computational analysis of metal organic framework and covalent organic framework using degree based topological indices with QSPR validation
Scientific Reports·2025Open Access
An integrative MCDM framework using topological indices for ranking vitamins based on solubility properties
The European Physical Journal E·2025
Predicting flavonoid physicochemical properties using topological indices and regression modeling
Scientific Reports·2025Open Access
QSPR modeling of physicochemical properties in atmospheric photo-oxidized indole derivatives: integrating topological indices with linear, quadratic, and logarithmic regression
Zeitschrift für Naturforschung A·2025
Topological analysis and predictive modeling of amino acid structures with implications for bioinformatics and structural biology
Scientific Reports·2025· 4 citedOpen Access
Predictive modeling of physical properties in silane compounds using topological descriptors: A computational approach
Main Group Metal Chemistry·2025Open Access
Analyzing topological descriptors of guar gum and its derivatives for predicting physical properties in carbohydrates
Chemometrics and Intelligent Laboratory Systems·2024· 4 cited
Utilizing topological indices in QSPR modeling to identify non-cancer medications with potential anti-cancer properties: a promising strategy for drug repurposing
Frontiers in Chemistry·2024· 7 citedOpen Access
Elucidating structure–property relationships of guar gum biomolecules: insights from M-polynomial and QSPR modeling
Frontiers in Chemistry·2024· 2 citedOpen Access
Exploring expected values of topological indices of random cyclodecane chains for chemical insights
Scientific Reports·2024· 7 citedOpen Access
Analyzing the expected values of neighborhood degree-based topological indices in random cyclooctane chains
Frontiers in Chemistry·2024· 2 citedOpen Access
Computation of expected values of some connectivity based topological descriptors of random cyclooctane chains
Scientific Reports·2024· 3 citedOpen Access
Expected values of sum-based topological indices of random cyclodecane chains
Physica Scripta·2024· 3 citedOpen Access
On expected values of some degree based topological descriptors of random Phenylene chains
Molecular Physics·2023· 9 cited
Topological Aspects of Certain Covalent Organic Frameworks and Metal Organic Frameworks
Journal of Function Spaces·2022· 4 citedOpen Access
On total irregularity index of trees with given number of segments or branching vertices
Chaos Solitons & Fractals·2022· 7 cited
Computing Some Degree‐Based Topological Indices of Honeycomb Networks
Complexity·2022· 2 citedOpen Access
Study of Carbon Nanbotubes and Boron Nanotubes Using Degree Based Topological Indices
Polycyclic aromatic compounds·2021· 10 cited
Analyzing the expressions for nanostructures via topological indices
Arabian Journal of Chemistry·2021· 6 citedOpen Access
Maximum total irregularity index of some families of graph with maximum degree n − 1
Asian-European Journal of Mathematics·2021· 2 cited
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Frequent Co-authors

Adnan Aslam(16), Akhlaq Ahmad Bhatti(7), Fairouz Tchier(4), Anisa Naeem(3), Akbar Ali(3), Komal Shahzadi(3), Ferdous M. O. Tawfiq(3), Keneni Abera Tola(3), Guoping Zhang(3), Sobhy M. Ibrahim(3), Salma Kanwal(2), Abudulai Issa(2), Xiujun Zhang(2), Huili Li(2), Saira Tariq(2), Zhi‐hao Hui(1), Muhammad Ahsan Binyamin(1), Bai Chunsong(1), Ying Wang(1), Mehran Azeem(1)