Multiplicative versus scalar multiplicative degree based descriptors in QSAR/QSPR studies and their comparative analysis in entropy measures
Modern research on medical experiments confirms that the physicochemical characteristics
of chemical compounds have a strong connection with their molecular structure. In this line …
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 - ingentaconnect.com
Background: Quantitative Structure-Activity Relationship (QSAR) studies describing the
correlations between biological activity as dependent parameters and physicochemical and …
correlations between biological activity as dependent parameters and physicochemical and …
[HTML][HTML] Degree-based topological indices and polynomials of hyaluronic acid-curcumin conjugates
Quantitative structure–activity relationship (QSAR) represents quantitative correlation of
chemical structural features called as molecular descriptors and pharmacological activity as …
chemical structural features called as molecular descriptors and pharmacological activity as …
On topological indices of remdesivir compound used in treatment of Corona virus (COVID 19)
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 …
Syndrome (SARS). Several therapeutic agents have been evaluated for the treatment of …
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 …
indices are used in quantitative structure-activity relationship studies to describe the …
On topological descriptors and curvilinear regression analysis of antiviral drugs used in COVID-19 treatment
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 …
properties of drugs in the field of chemical and medical sciences. The COVID-19 pandemic …
Synthesis, biological evaluation, and computational studies of some novel quinazoline derivatives as anticancer agents
A series of quinazolinone derivatives (7a–7h) were synthesized as antiproliferative agents.
All compounds, were synthesized through three steps method and structurally evaluated by …
All compounds, were synthesized through three steps method and structurally evaluated by …
Distance based topological descriptors of zinc porphyrin dendrimer
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 …
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
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 …
polycyclic aromatic hydrocarbons. The myriad types of coronoids have potential far-reaching …
Topological analysis of para‐line graph of Remdesivir used in the prevention of corona virus
JB Liu, RM Singaraj - International Journal of Quantum …, 2021 - Wiley Online Library
Topological indices are the molecular descriptors that characterize the formation of chemical
compounds and they assist us to predict certain physical–chemical properties like molar …
compounds and they assist us to predict certain physical–chemical properties like molar …