Georg Hinselmann

16 papers B 1Journal 12Unranked 2

Year	Rank	Type	Title / Venue / Authors
2011	J	`jnl`	4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening. J. Cheminformatics Andreas Jahn, Lars Rosenbaum, Georg Hinselmann, Andreas Zell
2011	—	`conf`	Approximation of Graph Kernel Similarities for Chemical Graphs by Kernel Principal Component Analysis. EvoBio Georg Hinselmann, Andreas Jahn, Nikolas Fechner, Lars Rosenbaum, Andreas Zell
2011	—	`—`	Data Mining on Chemical Graphs Using Kernel Algorithms. Georg Hinselmann
2011	B	`conf`	Fast Data Mining with Sparse Chemical Graph Fingerprints by Estimating the Probability of Unique Patterns. ESANN Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, Andreas Zell
2011	J	`jnl`	Interpreting linear support vector machine models with heat map molecule coloring. J. Cheminformatics Lars Rosenbaum, Georg Hinselmann, Andreas Jahn, Andreas Zell
2011	J	`jnl`	Large-Scale Learning of Structure-Activity Relationships Using a Linear Support Vector Machine and Problem-Specific Metrics. J. Chem. Inf. Model. Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, Nikolas Fechner, Claude Ostermann, Andreas Zell
2011	J	`jnl`	Modeling and Benchmark Data Set for the Inhibition of c-Jun N-terminal Kinase-3. J. Chem. Inf. Model. Verena Schattel, Georg Hinselmann, Andreas Jahn, Andreas Zell, Stefan Laufer
2011	J	`jnl`	jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints. J. Cheminformatics Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, Nikolas Fechner, Andreas Zell
2010	J	`jnl`	Automatic pharmacophore model generation using weighted substructure assignments. J. Cheminformatics Andreas Jahn, Hannes Planatscher, Georg Hinselmann, Nikolas Fechner, Andreas Zell
2010	J	`jnl`	Efficient extraction of canonical spatial relationships using a recursive enumeration of k-subsets. J. Cheminformatics Georg Hinselmann, Nikolas Fechner, Andreas Jahn, Andreas Zell
2010	J	`jnl`	Estimation of the applicability domain of kernel-based machine learning models for virtual screening. J. Cheminformatics Nikolas Fechner, Andreas Jahn, Georg Hinselmann, Andreas Zell
2010	J	`jnl`	Graph kernels for chemical compounds using topological and three-dimensional local atom pair environments. Neurocomputing Georg Hinselmann, Nikolas Fechner, Andreas Jahn, Matthias Eckert, Andreas Zell
2010	J	`jnl`	Kernel-based estimation of the applicability domain of QSAR models. J. Cheminformatics Nikolas Fechner, Georg Hinselmann, Andreas Jahn, Andreas Zell
2009	J	`jnl`	Atomic Local Neighborhood Flexibility Incorporation into a Structured Similarity Measure for QSAR. J. Chem. Inf. Model. Nikolas Fechner, Andreas Jahn, Georg Hinselmann, Andreas Zell
2009	—	`conf`	Chronic Rat Toxicity Prediction of Chemical Compounds Using Kernel Machines. EvoBIO Georg Hinselmann, Andreas Jahn, Nikolas Fechner, Andreas Zell
2009	J	`jnl`	Optimal assignment methods for ligand-based virtual screening. J. Cheminformatics Andreas Jahn, Georg Hinselmann, Nikolas Fechner, Andreas Zell