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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  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.
18th European Symposium on Quantitative Structure – Activity Relationships by n a