QSPR/QSAR Studies of 2-Furylethylenes Using Bond-Level Quadratic Indices and Comparison with Other Computational Approaches

The recently introduced, non-stochastic and stochastic qua - dratic indices (Marrero-Ponce et al. J. Comp. Aided Mol. Des. 2006 , 20 , 685-701) were applied to QSAR/QSPR studies of heteroatomic molecules. These novel bond-based molecular descriptors (MDs) were used for the prediction of the partitio...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Journal of the Mexican Chemical Society
Hauptverfasser: Eugenio R. Martinez Albelo, Yovani Marrero Ponce, Stephen J. Barigye, Yunaimy Echeverría-Díaz, Facundo Pérez-Giménez
Format: Artigo
Sprache:Inglês
Veröffentlicht: Sociedad Química de México 2013
Schlagworte:
Multidisciplinaria (Ciencias Naturales y Exactas)
non
Edge
QSPR
TOMOCOMD
QSAR Model
Online Zugang:https://www.redalyc.org/articulo.oa?id=47527412012
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