Atom-type-based AI topological indices: application in modeling boiling points of aliphatic esters

Atom-type-based AI topological indices: application in modeling boiling points of aliphatic esters

In this work, modeling normal boiling points (NBPs) of a group of aliphatic esters using a combination of the modified Xu (mXu) and the atom-type-based AI topological indices was studied. At first, simple linear regression model was developed using mXu index alone and the statistics of squared correlation coefficient, Fisher ratio and standard error were 19..0, 0.88891 and 79.5, respectively. Significant decrease in the standard error of the model (about .12) was observed upon introduction of ...

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