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Ensemble Methods for Classification in Cheminformatics.

C. Merkwirth, H. Mauser, T. Schulz-Gasch, O. Roche, M. Stahl, and T. Lengauer. Journal of Chemical Information and Modeling, 44 (6): 1971-1978 (2004)

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Dr. Heiko Schulz University of Stuttgart

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Other publications of authors with the same name

Ensemble Methods for Classification in Cheminformatics.C. Merkwirth, H. Mauser, T. Schulz-Gasch, O. Roche, M. Stahl, and T. Lengauer. Journal of Chemical Information and Modeling, 44 (6): 1971-1978 (2004)NAOMI: On the Almost Trivial Task of Reading Molecules from Different File formats.S. Urbaczek, A. Kolodzik, J. Fischer, T. Lippert, S. Heuser, I. Groth, T. Schulz-Gasch, and M. Rarey. Journal of Chemical Information and Modeling, 51 (12): 3199-3207 (2011)Recore: A Fast and Versatile Method for Scaffold Hopping Based on Small Molecule Crystal Structure Conformations.P. Maaß, T. Schulz-Gasch, M. Stahl, and M. Rarey. Journal of Chemical Information and Modeling, 47 (2): 390-399 (2007)Systematic search for pairwise dependencies of torsion angles.C. Schärfer, T. Schulz-Gasch, and M. Rarey. J. Cheminformatics, 4 (S-1): 36 (2012)TorsionAnalyzer: exploring conformational space.C. Schärfer, T. Schulz-Gasch, and M. Rarey. J. Cheminformatics, 5 (S-1): 3 (2013)De novo design by pharmacophore-based searches in fragment spaces.T. Lippert, T. Schulz-Gasch, O. Roche, W. Guba, and M. Rarey. Journal of Computer-Aided Molecular Design, 25 (10): 931-945 (2011)Mechanistic insights into oxidosqualene cyclizations through homology modeling.T. Schulz-Gasch, and M. Stahl. Journal of Computational Chemistry, 24 (6): 741-753 (2003)TFD: Torsion Fingerprints As a New Measure To Compare Small Molecule Conformations.T. Schulz-Gasch, C. Schärfer, W. Guba, and M. Rarey. Journal of Chemical Information and Modeling, 52 (6): 1499-1512 (2012)