Multiplicative versus scalar multiplicative degree based descriptors in QSAR/QSPR studies and their comparative analysis in entropy measures

D Paul, M Arockiaraj, K Jacob… - The European Physical …, 2023 - epjplus.epj.org
Modern research on medical experiments confirms that the physicochemical characteristics
of chemical compounds have a strong connection with their molecular structure. In this line …

Physicochemical significance of topological indices: Importance in drug discovery research

KS Bhatia, AK Gupta, AK Saxena - Current Topics in Medicinal …, 2023 - benthamdirect.com
Background: Quantitative Structure-Activity Relationship (QSAR) studies describing the
correlations between biological activity as dependent parameters and physicochemical and …

On quantitative structure-property relationship (QSPR) analysis of physicochemical properties and anti-hepatitis prescription drugs using a linear regression model

A Mahboob, MW Rasheed, AM Dhiaa, I Hanif, L Amin - Heliyon, 2024 - cell.com
Numerous studies demonstrate a strong intrinsic relationship between the boiling and
melting temperatures, among other chemical properties, of chemical compounds and …

On topological descriptors and curvilinear regression analysis of antiviral drugs used in COVID-19 treatment

V Ravi, MK Siddiqui, N Chidambaram… - Polycyclic Aromatic …, 2022 - Taylor & Francis
Topological indices are used to research the chemical, biological, clinical, and medicinal
properties of drugs in the field of chemical and medical sciences. The COVID-19 pandemic …

[HTML][HTML] Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates

P Ali, SAK Kirmani, O Al Rugaie, F Azam - Saudi Pharmaceutical Journal, 2020 - Elsevier
Quantitative structure–activity relationship (QSAR) represents quantitative correlation of
chemical structural features called as molecular descriptors and pharmacological activity as …

A study of novel molecular descriptors and quantitative structure–property relationship analysis of blood cancer drugs

A Mahboob, MW Rasheed, L Amin… - The European Physical …, 2023 - epjplus.epj.org
A molecular index is a numerical value derived from a chemical structure. Topological
indices are used in quantitative structure-activity relationship studies to describe the …

On topological indices of remdesivir compound used in treatment of Corona virus (COVID 19)

J Wei, M Cancan, AU Rehman… - Polycyclic Aromatic …, 2022 - Taylor & Francis
Corona virus cause diseases ranging from the common cold to Severe Acute Respiratory
Syndrome (SARS). Several therapeutic agents have been evaluated for the treatment of …

Synthesis, biological evaluation, and computational studies of some novel quinazoline derivatives as anticancer agents

L Emami, S Khabnadideh, Z Faghih, F Farahvasi… - BMC chemistry, 2022 - Springer
A series of quinazolinone derivatives (7a–7h) were synthesized as antiproliferative agents.
All compounds, were synthesized through three steps method and structurally evaluated by …

Distance based topological descriptors of zinc porphyrin dendrimer

DA Xavier, ES Varghese, A Baby, D Mathew… - Journal of Molecular …, 2022 - Elsevier
Dendrimers are highly branched macromolecules with unique structure and properties. The
applications of dendrimers are vast in the field of nano-science and chemistry. The …

Computation of degree-based topological descriptors using M-polynomial for coronoid systems

K Julietraja, P Venugopal - Polycyclic Aromatic Compounds, 2022 - Taylor & Francis
This paper aims to compute the degree (valence)-based molecular descriptors for coronoid
polycyclic aromatic hydrocarbons. The myriad types of coronoids have potential far-reaching …