Results 121 to 130 of about 3,379 (242)

QSPR Studies of Non Cyclic Polyether

open access: yes, 2016
This paper deals with a Quantitative Structure Property relationship (QSPR) study on a large set of Podands (non cyclic polyether) using a combination of topological indices.
Tiwari, A. (Akshay)   +3 more
core  

Domination topological properties of polyhydroxybutyrate and polycaprolactone with QSPR analysis [PDF]

open access: yesNanosystems: Physics, Chemistry, Mathematics, 2021
Hanan Ahmed   +2 more
openaire   +1 more source

QSPR Treatment of the Soil Sorption Coefficients of Organic Pollutants

open access: yes, 2005
In this study, general and class-specific QSPR models for soil sorption, logKOC, of 344 organic pollutants (0 < logKOC < 4.94) were developed using a large variety of theoretical molecular descriptors based only on molecular structure.
Maran, Uko   +4 more
core   +1 more source

Prediction of High Performance Liquid Chromatography Retention Time for Some Organic Compounds Based on Ab initio QSPR Study

open access: yes, 2018
Analysis of the quantitative relationship between structure and characteristics of 18 polyaromatic hydrocarbons has been done by quantum Ab initio Quantitative Structure-Property Relationship (QSPR) study at Hartree Fock level of theory.
Mudasir Mudasir   +2 more
core   +1 more source

QSPR/QSAR study of antiviral drugs modeled as multigraphs by using TI’s and MLR method to treat COVID-19 disease

open access: yesScientific Reports
The ongoing COVID-19 pandemic continues to pose significant challenges worldwide, despite widespread vaccination. Researchers are actively exploring antiviral treatments to assess their efficacy against emerging virus variants. The aim of the study is to
Ugasini Preetha P   +3 more
doaj   +1 more source

QSPR analysis of antiparkinson’s drugs with degree based topological indices

open access: yes
The behaviour of some of the physico-chemical properties of anti-Parkinson’s disease drugs are statistically analysed which are targeted to reduce the effects of the severe symptoms especially body shaking. In this paper, the QSPR analysis of topological
Loganathan, Shobana   +2 more
core  

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