TY - JOUR
T1 - Extended GT-STAF information indices based on Markov approximation models
AU - Barigye, Stephen J.
AU - Marrero-Ponce, Yovani
AU - Alfonso-Reguera, Vitalio
AU - Pérez-Giménez, Facundo
PY - 2013
Y1 - 2013
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=84877031906&partnerID=8YFLogxK
U2 - 10.1016/j.cplett.2013.03.057
DO - 10.1016/j.cplett.2013.03.057
M3 - Artículo
AN - SCOPUS:84877031906
SN - 0009-2614
VL - 570
SP - 147
EP - 152
JO - Chemical Physics Letters
JF - Chemical Physics Letters
ER -