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Predicting Complexation Thermodynamic Parameters of β-Cyclodextrin with Chiral Guests by Using Swarm Intelligence and Support Vector Machines

The Particle Swarm Optimization (PSO) and Support Vector Machines (SVMs) approaches are used for predicting the thermodynamic parameters for the 1:1 inclusion complexation of chiral guests with β-cyclodextrin. A PSO is adopted for descriptor selection in the quantitative structure-property relations...

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Detalles Bibliográficos
Autores principales:	Prakasvudhisarn, Chakguy, Wolschann, Peter, Lawtrakul, Luckhana
Formato:	Texto
Lenguaje:	English
Publicado:	Molecular Diversity Preservation International (MDPI) 2009
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2695270/ https://www.ncbi.nlm.nih.gov/pubmed/19564942 http://dx.doi.org/10.3390/ijms10052107

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