Extended GT-STAF information indices based on Markov approximation models

Stephen J. Barigye, Yovani Marrero-Ponce, Vitalio Alfonso-Reguera, Facundo Pérez-Giménez

Producción científica: Contribución a una revistaArtículorevisión exhaustiva

7 Citas (Scopus)


A series of novel information theory-based molecular parameters derived from the insight of a molecular structure as a chemical communication system were recently presented and usefully employed in QSAR/QSPRs (J. Comp. Chem, 2013, 34, 259; SAR and QSAR in Environ. Res. 2013, 24). This approach permitted the application of Shannon's source and channel coding entropic measures to a chemical information source comprised of molecular 'fragments', using the zero-order Markov approximation model (atom-based approach). This report covers the theoretical aspects of the extensions of this approach to higher-order models, introducing the first, second and generalized-order Markov approximation models.

Idioma originalInglés
Páginas (desde-hasta)147-152
Número de páginas6
PublicaciónChemical Physics Letters
EstadoPublicada - 2013
Publicado de forma externa


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