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Journal of Cheminformatics|March 13, 2010
Estimation of the applicability domain of kernel-based machine learning models for virtual screeningNikolas Fechner, Andreas Jahn, Georg Hinselmann, et al.Journal of Cheminformatics|February 13, 2010
Optimal assignment methods for ligand-based virtual screeningAndreas Jahn, Georg Hinselmann, Nikolas Fechner, et al.Journal of Chemical Information and Modeling|May 13, 2009
Atomic local neighborhood flexibility incorporation into a structured similarity measure for QSARNikolas Fechner, Andreas Jahn, Georg Hinselmann, et al.Journal of Cheminformatics|January 12, 2011
jCompoundMapper: An open source Java library and command-line tool for chemical fingerprintsGeorg Hinselmann, Lars Rosenbaum, Andreas Jahn, et al.Molecular Informatics|July 28, 2016
Probabilistic Modeling of Conformational Space for 3D Machine Learning ApproachesAndreas Jahn, Georg Hinselmann, Nikolas Fechner, et al.Journal of Chemical Information and Modeling|January 7, 2011
Large-scale learning of structure-activity relationships using a linear support vector machine and problem-specific metricsGeorg Hinselmann, Lars Rosenbaum, Andreas Jahn, et al.Journal of Cheminformatics|March 29, 2011
Interpreting linear support vector machine models with heat map molecule coloringLars Rosenbaum, Georg Hinselmann, Andreas Jahn, et al.Journal of Cheminformatics|July 8, 2011
4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screeningAndreas Jahn, Lars Rosenbaum, Georg Hinselmann, et al.Journal of Chemical Information and Modeling|February 2, 2011
Modeling and benchmark data set for the inhibition of c-Jun N-terminal kinase-3Verena Schattel, Georg Hinselmann, Andreas Jahn, et al.Plos One|May 5, 2012
Linking the epigenome to the genome: correlation of different features to DNA methylation of CpG islandsClemens Wrzodek, Finja Büchel, Georg Hinselmann, et al.Pageof 22