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On the ease of predicting the thermodynamic properties of beta-cyclodextrin inclusion complexes

BACKGROUND: In this study we investigated the predictability of three thermodynamic quantities related to complex formation. As a model system we chose the host-guest complexes of β-cyclodextrin (β-CD) with different guest molecules. A training dataset comprised of 176 β-CD guest molecules with expe...

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Autors principals: Steffen, Andreas, Apostolakis, Joannis
Format: Artigo
Idioma:Inglês
Publicat: BioMed Central 2007
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Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC2228290/
https://ncbi.nlm.nih.gov/pubmed/18005419
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1752-153X-1-29
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