Abdul Rauf

ORCID: 0000-0001-8173-9496
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Research Areas
  • Graph theory and applications
  • Computational Drug Discovery Methods
  • Nanofluid Flow and Heat Transfer
  • Free Radicals and Antioxidants
  • Fluid Dynamics and Turbulent Flows
  • Rheology and Fluid Dynamics Studies
  • Fractional Differential Equations Solutions
  • Fluid Dynamics and Vibration Analysis
  • Heat Transfer Mechanisms
  • Advanced Differential Equations and Dynamical Systems
  • Phase-change materials and chalcogenides
  • Synthesis and Properties of Aromatic Compounds
  • Graph Labeling and Dimension Problems
  • Chemical Thermodynamics and Molecular Structure
  • Catalytic Processes in Materials Science
  • Model Reduction and Neural Networks
  • Advanced Numerical Methods in Computational Mathematics
  • Coding theory and cryptography
  • Numerical methods for differential equations
  • Metal-Organic Frameworks: Synthesis and Applications
  • Hepatitis C virus research
  • Topological and Geometric Data Analysis
  • Cholinesterase and Neurodegenerative Diseases
  • Graphene research and applications
  • Retinoids in leukemia and cellular processes

Air University
2018-2025

COMSATS University Islamabad
2021-2025

University of Azad Jammu and Kashmir
2025

Shahid Sattari University of Aeronautical Engineering
2022

Leighton Hospital
2021

Ayub Medical College
2021

Abbott (Germany)
2021

University of Balochistan
2020

The Women University Multan
2020

University of Gujrat
2018

<abstract> <p>A stable colloid called ferrofluid is made up of tiny magnetic particles, often magnetite (Fe<sub>3</sub>O<sub>4</sub>), that have been bonded with an amphiphilic dispersion layer and are then suspended in a suitable liquid solvent carrier. Current industrial uses for include dynamic sealing, inertial viscous damping, drug targeting, microrobots, etc. In this article, we studied the heat transfer MHD micropolar flow caused by non-linearly...

10.3934/math.2023008 article EN cc-by AIMS Mathematics 2022-09-28

A nanostructure belong to a significant and an extensively investigated compounds in chemical science. It has been derived through engineering mechanism at the molecular scale. The most important of these new materials are carbon nanotubes. Carbon nanosheets 2-dimensional lattices To compute study topological indices nanostructures respected problem nanotechnology. Quantitative structure-property structure-activity relationships nanotubes necessitate expressions for features compounds....

10.1080/10406638.2020.1753221 article EN Polycyclic aromatic compounds 2020-04-15

The purpose of this analysis is to establish a quantitative structure–property relationship (QSPR) between eV and ve-degree based topological descriptors measured physicochemical parameters phytochemicals screened against SARS-CoV-2 3CLpro. A computer-based algorithm developed compute the indices for considered graphs. Our study revealed that eV-degree Zagreb index Mev first beta M1βve are two important can be useful in prediction molecular weight polar surface area phytochemicals....

10.1016/j.arabjc.2021.103240 article EN cc-by Arabian Journal of Chemistry 2021-06-08

Abstract In the present work, magnetohydrodynamic flow and heat transfer of a micropolar tri-hybrid nanofluid between two porous surfaces inside rotating system has been examined. A is new idea in research area, which gives better rate as compared to hybrid nanofluid. We also incorporated thermal radiation effects Hall current this article. The similarity techniques are used reduce governing nonlinear PDEs set ODEs. For numerical solution considered problem, we have MATLAB-based Bvp4c...

10.1038/s41598-022-19625-3 article EN cc-by Scientific Reports 2022-10-05

Cancer is one of the most lethal diseases in humans and other species. Breast cancer second frequent after skin cancer, it develops breast. The treatment recommendations are variable. lack appropriate medication has worsened disease. Based on prior research, scientists testing drugs based medical therapies. Many which include Abemaciclib, Thiotepa, Anastrozole, Tamoxifen, Abraxane, Capecitabine, Exemestane, Ixabepilone listed new recommendations. A topological index a type molecular...

10.1080/10406638.2022.2086272 article EN Polycyclic aromatic compounds 2022-06-28

We have investigated the two-dimensional mixed convective Maxwell hybrid nanofluid boundary layer mass and heat flows over a linearly stretching porous surface with applied external magnetic flux. Thermal radiations along Dufour Soret effects are also incorporated. The governing model of partial differential equations (PDE) is altered into ordinary (ODE) an appropriate similarity transformation. finite difference-based numerical method BVP4c to solve system nonlinear ODEs. flow features...

10.1016/j.arabjc.2023.104965 article EN cc-by Arabian Journal of Chemistry 2023-05-04

Abstract Under the influence of an alternating magnetic field, flow and heat transfer a ferrofluid over flexible revolving disc are examined. The is hampered by external which dependent on field's frequency. current work examines three-dimensional fluid with high viscosity spinning that stretched in radial direction. governing equations' symmetries computed using Lie group theory. In problem, there resemblance can accomplish radially stretching velocities divided into two categories,...

10.1038/s41598-022-21784-2 article EN cc-by Scientific Reports 2022-10-20

Antiemetics are medications that used to treat or prevent vomiting nausea. These two common symptoms the results of different conditions include procedures, therapies, and medications. In most cases, antiemetics required control vomiting, especially in cases severe dehydration. Topological descriptors numerical numbers associated with chemical substances Quantitative Structure-Property Relationship (QSPR) research predict their physical properties. this work, we linear multiple regression...

10.1080/00268976.2023.2189491 article EN Molecular Physics 2023-03-04

Abstract Hyaluronic acid-paclitaxel conjugate is a nanoparticle-based drug delivery system that combines hyaluronic acid with paclitaxel, enhancing its solubility, stability, and targeting specificity. This shows promise in treating breast, lung, ovarian cancers reduced side effects. Entropy measures are used to predict physical chemical properties of drugs. In this paper, we compute entropy for the using edge/connectivity partition approach. We establish quantitative structure-property...

10.1038/s41598-025-87755-5 article EN cc-by Scientific Reports 2025-02-08

Lyme disease, caused by the bacterium Borrelia burgdorferi and transmitted through infected black-legged ticks, remains a significant health concern due to its potential for severe complications, including arthritis, neurological disorders, cardiac issues. Early diagnosis treatment are essential prevent these outcomes. This study explores predictive of reverse degree-based entropy indices analyzing molecular structures therapeutic compounds used in disease treatment. While use topological...

10.3389/fphy.2025.1536995 article EN cc-by Frontiers in Physics 2025-03-04

Quantitative structure-property and structure-activity relationships of the silicon carbide compounds necessitate expressions for molecular topological features these compounds. Topological indices are vital devices investigating chemical to comprehend fundamental topology structures. Ev-degree ve-degree based two novel degrees as late defined in graph theory. have been corresponding their relating partners. In this article, we computed degree namely ev-degree Zagreb type index, Randic...

10.1080/10406638.2020.1747095 article EN Polycyclic aromatic compounds 2020-04-09

Abstract A quantitative structure–property relationship study was performed for the prediction of physical properties 22 benzene derivatives using ev‐degree and ve‐degree topological indices. These indices correlate certain physico‐chemical property with chemical structure (like molecular weight, enthalpy, boiling point π ‐electron energy β ‐unit derivatives). At first, a simple linear regression model developed considered derivatives. It is found that atom bond connectivity index ( )...

10.1002/qua.26851 article EN International Journal of Quantum Chemistry 2021-11-20

Abstract A topological index, also known as a connectedness is numerical characteristic of chemical structure that computed by using its molecular graph in theoretical chemistry. In quantitative structure‐activity relationships (QSARs), which relate molecule's to physical and properties, indices are employed. The entropies with were inspired Shannon's entropy concept became the information‐theoretic quantities for measuring structural information graphs. theory graphs useful determining...

10.1002/qua.27146 article EN International Journal of Quantum Chemistry 2023-05-23

Reverse entropies are the molecular descriptors that describe structures of chemical compounds. They used in isomer discrimination, structure-property relationship, and structure-activity relations. In this study, QSPR models were designed using reverse degree-based to predict physical properties benzene derivatives. The relationship analyses between physicochemical done by curvilinear regression method. A Maple software based algorithm was make computation easy. Analysis performed SPSS...

10.1080/10406638.2023.2196429 article EN Polycyclic aromatic compounds 2023-04-08

Superlattices are periodic arrangements of two or more different materials on a nanoscale. Ge-Sb-Te (Germanium-Antimony-Tellurium) superlattices type material used in phase-change memory (PCM) technology. PCM is non-volatile technology that relies the reversible phase transition between amorphous and crystalline states certain materials. This property, combined with nature material, makes it suitable for applications like electronic devices. Topological entropy indices mathematical tools...

10.1016/j.asej.2023.102617 article EN cc-by-nc-nd Ain Shams Engineering Journal 2024-01-09

Stokes flows of a Maxwell fluid produced by the motion wall are analyzed under slip condition at boundary. The is assumed to be translated in its plane with given velocity. relative velocity between and proportional shear rate wall. exact expressions for stress determined means Laplace transform. fields corresponding both nonslip conditions viscous Newtonian fluids obtained. Two particular cases, namely sinusoidal oscillations translation constant wall, studied. In case boundary condition,...

10.1139/p11-099 article EN Canadian Journal of Physics 2011-10-01

Topological indices are quantitative measurements that describe a molecule’s topology and quantified from the graphical representation. The significance of topological is linked to their use in QSPR/QSAR modelling as descriptors. Mathematical associations between particular molecular or biological activity one several biochemical and/or structural features QSPRs (quantitative structure‐property relationships) QSARs structure‐activity relationships). In this paper, we give explicit...

10.1155/2021/9939469 article EN cc-by Complexity 2021-01-01

Abstract Topological indices are an important method for understanding the fundamental topology of chemical structures. Quantitative structure properties relationship (QSPR) is analytical approach breaking down a molecule into sequence numerical values that describe and physical characteristics molecule. In this article, we have developed QSPR analysis between eigenvalue‐based topological COVID‐19 drugs to predict significance level eigenvalue based indices. We use MATLAB computation SPSS...

10.1002/qua.27030 article EN International Journal of Quantum Chemistry 2022-11-03
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