Georg Hinselmann

According to our database1, Georg Hinselmann authored at least 16 papers between 2009 and 2011.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Links

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Bibliography

2011
Data Mining on Chemical Graphs Using Kernel Algorithms.
PhD thesis, 2011

Modeling and Benchmark Data Set for the Inhibition of c-Jun N-terminal Kinase-3.
J. Chem. Inf. Model., 2011

Large-Scale Learning of Structure-Activity Relationships Using a Linear Support Vector Machine and Problem-Specific Metrics.
J. Chem. Inf. Model., 2011

Interpreting linear support vector machine models with heat map molecule coloring.
J. Cheminformatics, 2011

4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening.
J. Cheminformatics, 2011

jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints.
J. Cheminformatics, 2011

Approximation of Graph Kernel Similarities for Chemical Graphs by Kernel Principal Component Analysis.
Proceedings of the Evolutionary Computation, Machine Learning and Data Mining in Bioinformatics, 2011

Fast Data Mining with Sparse Chemical Graph Fingerprints by Estimating the Probability of Unique Patterns.
Proceedings of the 19th European Symposium on Artificial Neural Networks, 2011

2010
Automatic pharmacophore model generation using weighted substructure assignments.
J. Cheminformatics, 2010

Efficient extraction of canonical spatial relationships using a recursive enumeration of k-subsets.
J. Cheminformatics, 2010

Estimation of the applicability domain of kernel-based machine learning models for virtual screening.
J. Cheminformatics, 2010

Kernel-based estimation of the applicability domain of QSAR models.
J. Cheminformatics, 2010

Graph kernels for chemical compounds using topological and three-dimensional local atom pair environments.
Neurocomputing, 2010

2009
Atomic Local Neighborhood Flexibility Incorporation into a Structured Similarity Measure for QSAR.
J. Chem. Inf. Model., 2009

Optimal assignment methods for ligand-based virtual screening.
J. Cheminformatics, 2009

Chronic Rat Toxicity Prediction of Chemical Compounds Using Kernel Machines.
Proceedings of the Evolutionary Computation, 2009


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