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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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| Главные авторы: | , |
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| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
BioMed Central
2007
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| Предметы: | |
| Online-ссылка: | 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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