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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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Univ. -Prof. Dr. -Ing. Harald Garrecht University of Stuttgart

Dr. -Ing. Harald Schönberger University of Stuttgart

Julia Mauser University of Stuttgart

Harald Jung University of Stuttgart

Harald Knaus University of Stuttgart

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A validation study on the practical use of automated de novo design.M. Stahl, N. Todorov, T. James, H. Mauser, H. Böhm, and P. Dean. Journal of Computer-Aided Molecular Design, 16 (7): 459-478 (2002)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)Prediction of UV and ESI-MS Signal Intensities.H. Mauser, O. Roche, M. Stahl, and S. Müller. Journal of Chemical Information and Modeling, 45 (4): 1039-1046 (2005)Database Clustering with a Combination of Fingerprint and Maximum Common Substructure Methods.M. Stahl, and H. Mauser. Journal of Chemical Information and Modeling, 45 (3): 542-548 (2005)Chemical Fragment Spaces for de novo Design.H. Mauser, and M. Stahl. Journal of Chemical Information and Modeling, 47 (2): 318-324 (2007)