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

doi:10.1186/1752-153X-1-29

Chemistry Central Journal

Volume 1

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Research article

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

Andreas Steffen¹ and Joannis Apostolakis²

¹Max-Planck-Institut für Informatik, Computational Biology and Applied Algorithmics, Stuhlsatzenhausweg 85, 66123 Saarbrücken, Germany

²Ludwig-Maximilians-Universität München, Institut für Informatik, Lehr- und Forschungseinheit für Bioinformatik, Amalienstrasse 17, 80333 München, Germany

author email corresponding author email

Chemistry Central Journal 2007, 1:29doi:10.1186/1752-153X-1-29


Published:	15 November 2007

Additional files

Additional file 1:

Contains two tables with all the data used in this study (Table 1) and a list of the clusters' average properties according to structural similarity (Table 2).

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