Title of article :
Structure-property relationship between half-wave potentials of organic compounds and their topology
Author/Authors :
Hua Li، نويسنده , , Lu Xu، نويسنده , , Qiang Su، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1995
Abstract :
A significant correlation was found between half-wave potentials of organic compounds and their topological indices, Ax1, Ax2, and Ax3. The simplicity of calculation of the index from the connectivity in the molecular skeleton, together with the significant correlation, indicates its practical value. Good results have been obtained by using them to predict the half-wave potentials of some organic compounds.
Keywords :
Chemometrics , Structure-property relationships , Half-wave potentials , Topological indices
Journal title :
Analytica Chimica Acta
Journal title :
Analytica Chimica Acta