Extended GT-STAF Information Indices based on Markov Approximation Models
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Date
2013
Journal Title
Journal ISSN
Volume Title
Publisher
Chemical Physics Letters
Abstract
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.
Description
Keywords
GT-STAF, Markov, QSAR/QSPRs
Citation
Barigye, S. J., Marrero-Ponce, Y., Alfonso-Reguera, V., & Pérez-Giménez, F. (2013). Extended GT-STAF information indices based on Markov approximation models. Chemical Physics Letters, 570, 147-152.https://doi.org/10.1016/j.cplett.2013.03.057