Chronic Rat Toxicity Prediction of Chemical Compounds Using Kernel Machines. - Georg Hinselmann; Andreas Jahn 001; Nikolas Fechner; Andreas Zell (EvoBIO, 2009)

Optimal assignment methods for ligand-based virtual screening. - Andreas Jahn 001; Georg Hinselmann; Nikolas Fechner; Andreas Zell (J. Cheminformatics, 2009)

Atomic Local Neighborhood Flexibility Incorporation into a Structured Similarity Measure for QSAR. - Nikolas Fechner; Andreas Jahn 001; Georg Hinselmann; Andreas Zell (J. Chem. Inf. Model., 2009)

Graph kernels for chemical compounds using topological and three-dimensional local atom pair environments. - Georg Hinselmann; Nikolas Fechner; Andreas Jahn 001; Matthias Eckert; Andreas Zell (Neurocomputing, 2010)

Kernel-based estimation of the applicability domain of QSAR models. - Nikolas Fechner; Georg Hinselmann; Andreas Jahn 001; Andreas Zell (J. Cheminformatics, 2010)

Estimation of the applicability domain of kernel-based machine learning models for virtual screening. - Nikolas Fechner; Andreas Jahn 001; Georg Hinselmann; Andreas Zell (J. Cheminformatics, 2010)

Efficient extraction of canonical spatial relationships using a recursive enumeration of k-subsets. - Georg Hinselmann; Nikolas Fechner; Andreas Jahn 001; Andreas Zell (J. Cheminformatics, 2010)

Automatic pharmacophore model generation using weighted substructure assignments. - Andreas Jahn 001; Hannes Planatscher; Georg Hinselmann; Nikolas Fechner; Andreas Zell (J. Cheminformatics, 2010)

Fast Data Mining with Sparse Chemical Graph Fingerprints by Estimating the Probability of Unique Patterns. - Georg Hinselmann; Lars Rosenbaum; Andreas Jahn 001; Andreas Zell (ESANN, 2011)

Approximation of Graph Kernel Similarities for Chemical Graphs by Kernel Principal Component Analysis. - Georg Hinselmann; Andreas Jahn 001; Nikolas Fechner; Lars Rosenbaum; Andreas Zell (EvoBio, 2011)

jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints. - Georg Hinselmann; Lars Rosenbaum; Andreas Jahn 001; Nikolas Fechner; Andreas Zell (J. Cheminformatics, 2011)

4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening. - Andreas Jahn 001; Lars Rosenbaum; Georg Hinselmann; Andreas Zell (J. Cheminformatics, 2011)

Interpreting linear support vector machine models with heat map molecule coloring. - Lars Rosenbaum; Georg Hinselmann; Andreas Jahn 001; Andreas Zell (J. Cheminformatics, 2011)

Large-Scale Learning of Structure-Activity Relationships Using a Linear Support Vector Machine and Problem-Specific Metrics. - Georg Hinselmann; Lars Rosenbaum; Andreas Jahn 001; Nikolas Fechner; Claude Ostermann; Andreas Zell (J. Chem. Inf. Model., 2011)

Modeling and Benchmark Data Set for the Inhibition of c-Jun N-terminal Kinase-3. - Verena Schattel; Georg Hinselmann; Andreas Jahn 001; Andreas Zell; Stefan Laufer (J. Chem. Inf. Model., 2011)

Optimizing the Edge Weights in Optimal Assignment Methods for Virtual Screening with Particle Swarm Optimization. - Lars Rosenbaum; Andreas Jahn 001; Andreas Zell (EvoBIO, 2012)

Molecular Flexibility Encodings for Virtual Screening and Machine Learning. - Andreas Jahn 001 (Verlag Dr. Hut, 2012)

Optimization and visualization of the edge weights in optimal assignment methods for virtual screening. - Lars Rosenbaum; Andreas Jahn 001; Alexander Dörr; Andreas Zell (BioData Min., 2013)

Analysis of AI-Based Single-View 3D Reconstruction Methods for an Industrial Application. - Julia Hartung; Patricia M. Dold; Andreas Jahn 001; Michael Heizmann (Sensors, 2022)