molecular connectivity indices
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QSPR with descriptors based on averages of vertex invariants. An artificial neural network study

RSC Advances ◽  
2014 ◽  
Vol 4 (84) ◽  
pp. 44733-44740 ◽  
Author(s):  
Lionello Pogliani ◽  
Jesus Vicente de Julián-Ortiz
Keyword(s):  
Neural Network ◽  
Neural Networks ◽  
Artificial Neural Network ◽  
Artificial Neural Networks ◽  
Organic Solvents ◽  
Molecular Connectivity ◽  
Molecular Connectivity Indices ◽  
Connectivity Indices ◽  
Experimental Parameters ◽  
Artificial Neural

Mean molecular connectivity indices (MMCI) defined as averages of vertex invariants together with molecular connectivity indices (MCI) and experimental parameters build optimal semiempirical relationships for eight out of eleven properties of organic solvents studied with artificial neural networks.

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