On Entropy-Based Molecular Descriptors: Statistical Analysis of Real and Synthetic Chemical Structures

Matthias Dehmer; Kurt Varmuza; Stephan Borgert; Frank Emmert-Streib

doi:10.1021/ci900060x

journal article Jun 16, 2009

On Entropy-Based Molecular Descriptors: Statistical Analysis of Real and Synthetic Chemical Structures

Matthias Dehmer Kurt Varmuza Stephan Borgert Frank Emmert-Streib

Journal of Chemical Information and Modeling Vol. 49 No. 7 pp. 1655-1663 · American Chemical Society (ACS)

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Details

Published: Jun 16, 2009
Vol/Issue: 49(7)
Pages: 1655-1663

Authors

M

Matthias Dehmer

Institute for Bioinformatics and Translational Research, UMIT, Eduard Wallnoefer Zentrum 1, A-6060, Hall in Tyrol, Austria, Institute of Discrete Mathematics and Geometry, Vienna University of Technology, Wiedner Hauptstrasse 8−10, A-1040 Vienna, Austria, Laboratory for Chemometrics, Vienna University of Technology, Institute of Chemical Engineering, Getreidemarkt 9/166, A-1060 Vienna, Austria, Darmstadt University of Technology, Department of Computer Science, Hochschulstrasse 10, D-64289 Darmstadt,...

K

Kurt Varmuza

Institute for Bioinformatics and Translational Research, UMIT, Eduard Wallnoefer Zentrum 1, A-6060, Hall in Tyrol, Austria, Institute of Discrete Mathematics and Geometry, Vienna University of Technology, Wiedner Hauptstrasse 8−10, A-1040 Vienna, Austria, Laboratory for Chemometrics, Vienna University of Technology, Institute of Chemical Engineering, Getreidemarkt 9/166, A-1060 Vienna, Austria, Darmstadt University of Technology, Department of Computer Science, Hochschulstrasse 10, D-64289 Darmstadt,...

S

Stephan Borgert

Institute for Bioinformatics and Translational Research, UMIT, Eduard Wallnoefer Zentrum 1, A-6060, Hall in Tyrol, Austria, Institute of Discrete Mathematics and Geometry, Vienna University of Technology, Wiedner Hauptstrasse 8−10, A-1040 Vienna, Austria, Laboratory for Chemometrics, Vienna University of Technology, Institute of Chemical Engineering, Getreidemarkt 9/166, A-1060 Vienna, Austria, Darmstadt University of Technology, Department of Computer Science, Hochschulstrasse 10, D-64289 Darmstadt,...

F

Frank Emmert-Streib

Institute for Bioinformatics and Translational Research, UMIT, Eduard Wallnoefer Zentrum 1, A-6060, Hall in Tyrol, Austria, Institute of Discrete Mathematics and Geometry, Vienna University of Technology, Wiedner Hauptstrasse 8−10, A-1040 Vienna, Austria, Laboratory for Chemometrics, Vienna University of Technology, Institute of Chemical Engineering, Getreidemarkt 9/166, A-1060 Vienna, Austria, Darmstadt University of Technology, Department of Computer Science, Hochschulstrasse 10, D-64289 Darmstadt,...

Cite This Article

Matthias Dehmer, Kurt Varmuza, Stephan Borgert, et al. (2009). On Entropy-Based Molecular Descriptors: Statistical Analysis of Real and Synthetic Chemical Structures. Journal of Chemical Information and Modeling, 49(7), 1655-1663. https://doi.org/10.1021/ci900060x

On Entropy-Based Molecular Descriptors: Statistical Analysis of Real and Synthetic Chemical Structures

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