Georg Hinselmann
According to our database1,
Georg Hinselmann
authored at least 16 papers
between 2009 and 2011.
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Bibliography
2011
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
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
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
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
J. Cheminformatics, 2009
Proceedings of the Evolutionary Computation, 2009