Molecular Connectivity Index

2016 ◽  
Author(s):  
H. Van De Waterbeemd ◽  
R. E. Carter ◽  
G. Grassy ◽  
H. Kubinyi ◽  
Y. C. Martin ◽  
...  
Keyword(s):  
Connectivity Index ◽  
Molecular Connectivity ◽  
Molecular Connectivity Index

Research on Calculation of Molecular Connectivity Index

2013 ◽  
Vol 303-306 ◽  
pp. 2671-2674 ◽  
Author(s):  
Wei Ye Tao ◽  
Lai You Wang ◽  
Guo Quan Huang ◽  
Hua Ying Zhou ◽  
Man Luo
Keyword(s):  
Adjacency Matrix ◽  
Molecular Descriptor ◽  
Connectivity Index ◽  
Molecular Connectivity ◽  
Molecular Connectivity Index ◽  
Ascii File ◽  
Structural Selectivity ◽  
2D And 3D ◽  
3D Topology ◽  
Mol2 Format

Compared to other topological indices, molecular connectivity index has good structural selectivity and correlation.According to the molecule’s 2D and 3D topology file, we conducted research on the mol2 format file to consider how to convert the ASCII file into the adjacency matrix. Based on the adjacency matrix, we analyzed the relevant algorithm to calculate the molecules’ molecular connectivity index through adjacency matrix. As a molecular descriptor, the molecular connectivity index can be used in QSAR.

Correlating the solubility of CO<sub>2</sub> in absorbents with molecular connectivity index

2012 ◽  
Vol 42 (3) ◽  
pp. 297-305
Author(s):  
TieZhi LI ◽  
Hui HU ◽  
ZhiGang TANG ◽  
WeiYang FEI
Keyword(s):  
Connectivity Index ◽  
Molecular Connectivity ◽  
Molecular Connectivity Index
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