scholarly journals Application of Graph Theory: Relationship of Eccentric Connectivity Index and Wiener's Index with Anti-inflammatory Activity

2002 ◽  
Vol 266 (2) ◽  
pp. 259-268 ◽  
Author(s):  
S. Gupta ◽  
M. Singh ◽  
A.K. Madan
Keyword(s):  
Graph Theory ◽  
Connectivity Index ◽  
Inflammatory Activity ◽  
Eccentric Connectivity Index ◽  
Wiener’S Index ◽  
Anti Inflammatory ◽  
Relationship Of

scholarly journals Eccentric Connectivity Index of t-Polyacenic Nanotubes

2019 ◽  
Vol 2019 ◽  
pp. 1-9 ◽  
Author(s):  
Jia-Bao Liu ◽  
Hani Shaker ◽  
Imran Nadeem ◽  
Mohammad Reza Farahani
Keyword(s):  
Chemical Compound ◽  
Chemical Structure ◽  
Biological Activities ◽  
Connectivity Index ◽  
Infinite Class ◽  
Eccentric Connectivity Index ◽  
Anti Inflammatory ◽  
High Degree ◽  
Structure Descriptor

The eccentric connectivity index ECI is a chemical structure descriptor that is currently being used for the modeling of biological activities of a chemical compound. This index has been proved to provide a high degree of predictability as compared to some other well-known indices in case of anticonvulsant, anti-inflammatory, and diuretic activities. The ECI of an infinite class of 1-polyacenic (phenylenic) nanotubes has been recently studied. In this article, we extend this study to generalized polyacenic nanotubes and find ECI of t-polyacenic nanotubes for t>1.

Relationship of chemical structure and anti-inflammatory activity of dihydrocorynantheol and its analogues

2013 ◽  
Vol 65 (5) ◽  
pp. 1263-1271
Author(s):  
Patrícia Pozzatti ◽  
Gustavo O. dos Reis ◽  
Danielle F. Pereira ◽  
Heros Horst ◽  
Leandro Espindola ◽  
...  
Keyword(s):  
Chemical Structure ◽  
Inflammatory Activity ◽  
Anti Inflammatory ◽  
Relationship Of

TOPOLOGICAL MODEL FOR THE PREDICTION OF ALPHA-1 ADRENOCEPTOR ANTAGONISTIC ACTIVITY OF ARYLPIPERAZINES

2004 ◽  
Vol 03 (02) ◽  
pp. 245-255 ◽  
Author(s):  
VIPIN KUMAR ◽  
A. K. MADAN
Keyword(s):  
Antagonistic Activity ◽  
Connectivity Index ◽  
Eccentric Connectivity Index ◽  
Data Set ◽  
Wiener’S Index ◽  
Topological Descriptor ◽  
Group Parameter ◽  
Accuracy Of Prediction ◽  
The Relationship ◽  
Zagreb Group Parameter

The relationship between Wiener's index — a distance-based topological descriptor, Zagreb group parameter — M 1, an adjacency-based topological descriptor, and eccentric connectivity index — an adjacency-cum-distance based topological descriptor, with the alpha-1 adrenoceptor antagonistic activity of arylpiperazines has been investigated. A training set, comprising 30 analogues, of substituted arylpiperazines was selected for the present investigations. The values of the Wiener's index, Zagreb group parameter and eccentric connectivity index and each of 30 analogues comprising the data set were computed. Resulting data was analyzed and suitable models developed after identification of active range. Subsequently, a biological activity was assigned to each analogue involved in the data set using these models, which was then compared with the reported adrenoceptor antagonistic activity. High accuracy of prediction ranging from 90–93% was observed using these models.

scholarly journals ECCENTRIC INDICES OF CRYSTAL CUBIC CARBON STRUCTURE

2020 ◽  
Vol 50 (3) ◽  
pp. 197-201
Author(s):  
Muhammad Naeem ◽  
A.Q. Baig ◽  
M.A. Zahid ◽  
S. Qaisar ◽  
M. Bari
Keyword(s):  
Crystal Structure ◽  
Graph Theory ◽  
Molecular Graph ◽  
Covalent Bond ◽  
Connectivity Index ◽  
Carbon Structure ◽  
Eccentric Connectivity Index ◽  
Chemical Graph ◽  
Chemical Graph Theory ◽  
Index 2

Chemical graph theory helps to understand the structural properties of a molecular graph. The molecular graphs are the graphs that consists of atoms called vertices and the covalent bond between them called edges. The eccentricity _u of vertex u in a connected graph G, is the distance between u and a vertex far- thermost from u. In this article, we study the modified eccentric connectivity index _c(G), Ediz eccentric connectivity index E_c(G), Augmented Eccentric Connectivity index A_(G), superaugmented eccentric connectivity index-1, index-2, index-3 and modi_ed eccentric connectivity polynomial _c(G; x) of CCC(n) of crystal structure of cubic carbon for n-levels.

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