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2008, 11, 365-374. 3. ; Stahl, M. Scaffold Hopping. Drug Discovery Today: Technologies 2004, 1, 217-224. 4. , Rarey M. Recore: A Fast and Versatile Method for Scaffold Hopping Based on Small Molecule Crystal Structure Conformations. J. Chem. Inf. Model. 2007, 47, 390-399. 5. , Stahl, M. Similarity Searching in Large Combinatorial Chemistry Spaces. J. Comput. Aided Mol. Des. 2001, 15, 497-520. 6. , Rarey, M. On the Art of Compiling and Using 'Drug-Like' Chemical Fragment Spaces. ChemMedChem 2008, 3, 1503-1507.

2007, 47, 390-399. 5. , Stahl, M. Similarity Searching in Large Combinatorial Chemistry Spaces. J. Comput. Aided Mol. Des. 2001, 15, 497-520. 6. , Rarey, M. On the Art of Compiling and Using 'Drug-Like' Chemical Fragment Spaces. ChemMedChem 2008, 3, 1503-1507. 54 18th European Symposium on Quantitative Structure-Activity Relationships ORAL PRESENTATION 2 LigandScout: MORE ACCURACY FOR PHARMACOPHORE-BASED VIRTUAL SCREENING Gerhard Wolber1,2, Fabian Bendix2, Thomas Seidel2, Göhkan Ibis2 and Yasmin Aristei2 Freie Universität Berlin, Institut für Pharmazie, Königin-Luise-Str.

V. QNA based ‘Star Track’ QSAR approach. SAR and QSAR Environ. , 2009, 20 (7-8), 679-709. , Poroikov V. (2008). Recognition of protein function using the local similarity. J. Bioinform. Computat. , 2008, 6 (4), 709-725 Rhodes, September 19-24, 2010 61 ORAL PRESENTATION 8 USING LOCAL MODELS TO IMPROVE QSAR PREDICTIVITY Fabian Buchwald, Tobias Girschick, Madeleine Seeland and Stefan Kramer Institut für Informatik I12, Technische Universität München, Germany In a recent paper, Benigni and Bossa [1] found that local QSAR models can produce results that are mechanistically interpretable and compare favorably with the known limits in reproducibility of the experimental systems.

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