QSPR analysis of some novel drugs used in blood cancer treatment via degree based topological indices and regression models

S Zaman, HSA Yaqoob, A Ullah… - Polycyclic Aromatic …, 2024‏ - Taylor & Francis
Topological indices (TIs) have several biological applications in the treatment of blood
cancer. TIs can be used to predict the efficacy of drugs in cancer treatment by providing …

[HTML][HTML] Structure-property modeling for thermodynamic properties of benzenoid hydrocarbons by temperature-based topological indices

S Hayat, A Khan, K Ali, JB Liu - Ain Shams Engineering Journal, 2024‏ - Elsevier
Quantitative structure-property relationship (QSPR) modeling employs contemporary
mathematical tools to predict physicochemical, thermodynamic and biological properties of …

Mathematical analysis and molecular descriptors of two novel metal–organic models with chemical applications

S Zaman, M Jalani, A Ullah, W Ahmad, G Saeedi - Scientific Reports, 2023‏ - nature.com
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 …

Derivation of mathematical closed form expressions for certain irregular topological indices of 2D nanotubes

A Ullah, S Zaman, A Hussain, A Jabeen, MB Belay - Scientific Reports, 2023‏ - nature.com
A numeric quantity that characterizes the whole structure of a network is called a topological
index. In the studies of QSAR and QSPR, the topological indices are utilized to predict the …

On the construction of some bioconjugate networks and their structural modeling via irregularity topological indices

A Ullah, S Zaman, A Hamraz, M Muzammal - The European Physical …, 2023‏ - Springer
Bioconjugate networks refer to networks that are formed by connecting different molecules
or particles (such as proteins, enzymes, or nanoparticles) through covalent or non-covalent …

Computational aspects of two important biochemical networks with respect to some novel molecular descriptors

A Ullah, Z Bano, S Zaman - Journal of Biomolecular Structure and …, 2024‏ - Taylor & Francis
Quantitative structure-activity relationship (QSAR) represents quantitative correlation of
biological structural features (called as topological indices) and pharmacological activity as …

The study of curve fitting models to analyze some degree-based topological indices of certain anti-cancer treatment

X Zhang, ZS Bajwa, S Zaman, S Munawar, D Li - Chemical Papers, 2024‏ - Springer
Topological indices are obtained from molecular graphs and are real numbers that can
forecast the biological and physicochemical properties of several anti-cancer treatments …

[HTML][HTML] Molecular structural modeling and physical characteristics of anti-breast cancer drugs via some novel topological descriptors and regression models

S Meharban, A Ullah, S Zaman, A Hamraz… - Current Research in …, 2024‏ - Elsevier
Research is continuously being pursued to treat cancer patients and prevent the disease by
develo** new medicines. However, experimental drug design and development is a …

Spectral techniques and mathematical aspects of K 4 chain graph

T Yan, Z Kosar, A Aslam, S Zaman, A Ullah - Physica Scripta, 2023‏ - iopscience.iop.org
The resistance distance between any two vertices of a connected graph is defined as the net
effective resistance between them. An electrical network can be constructed from a graph by …

Computational insights into zinc silicate MOF structures: topological modeling, structural characterization and chemical predictions

X Li, M Jamal, A Ullah, EE Mahmoud, S Zaman… - Scientific Reports, 2024‏ - nature.com
Metal-organic frameworks (MOFs) play a pivotal role in modern material science, offering
unique properties such as flexibility, substantial pore space, distinctive structure, and large …