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Journal of Cheminformatics
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March 29, 2011
Interpreting linear support vector machine models with heat map molecule coloring
Lars Rosenbaum, Georg Hinselmann, Andreas Jahn, et al.
Journal of Cheminformatics
|
March 13, 2010
Estimation of the applicability domain of kernel-based machine learning models for virtual screening
Nikolas Fechner, Andreas Jahn, Georg Hinselmann, et al.
Journal of Cheminformatics
|
February 13, 2010
Optimal assignment methods for ligand-based virtual screening
Andreas Jahn, Georg Hinselmann, Nikolas Fechner, et al.
Journal of Cheminformatics
|
July 8, 2011
4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening
Andreas Jahn, Lars Rosenbaum, Georg Hinselmann, et al.
Journal of Chemical Information and Modeling
|
May 13, 2009
Atomic local neighborhood flexibility incorporation into a structured similarity measure for QSAR
Nikolas Fechner, Andreas Jahn, 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-3
Verena Schattel, Georg Hinselmann, Andreas Jahn, et al.
Journal of Cheminformatics
|
January 12, 2011
jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints
Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, et al.
Molecular Informatics
|
July 29, 2016
Boltzmann-Enhanced Flexible Atom-Pair Kernel with Dynamic Dimension Reduction
Andreas Jahn, Georg Hinselmann, Lars Rosenbaum, et al.
Molecular Informatics
|
July 28, 2016
Probabilistic Modeling of Conformational Space for 3D Machine Learning Approaches
Andreas Jahn, Georg Hinselmann, Nikolas Fechner, et al.
Molecular Informatics
|
July 28, 2016
A Free-Wilson-like Approach to Analyze QSAR Models Based on Graph Decomposition Kernels
Nikolas Fechner, Georg Hinselmann, Andreas Jahn, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 12) with videos related to
Sort By:
Page
of 2
Journal of Cheminformatics
|
March 29, 2011
Interpreting linear support vector machine models with heat map molecule coloring
Lars Rosenbaum, Georg Hinselmann, Andreas Jahn, et al.
Journal of Cheminformatics
|
March 13, 2010
Estimation of the applicability domain of kernel-based machine learning models for virtual screening
Nikolas Fechner, Andreas Jahn, Georg Hinselmann, et al.
Journal of Cheminformatics
|
February 13, 2010
Optimal assignment methods for ligand-based virtual screening
Andreas Jahn, Georg Hinselmann, Nikolas Fechner, et al.
Journal of Cheminformatics
|
July 8, 2011
4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening
Andreas Jahn, Lars Rosenbaum, Georg Hinselmann, et al.
Journal of Chemical Information and Modeling
|
May 13, 2009
Atomic local neighborhood flexibility incorporation into a structured similarity measure for QSAR
Nikolas Fechner, Andreas Jahn, 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-3
Verena Schattel, Georg Hinselmann, Andreas Jahn, et al.
Journal of Cheminformatics
|
January 12, 2011
jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints
Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, et al.
Molecular Informatics
|
July 29, 2016
Boltzmann-Enhanced Flexible Atom-Pair Kernel with Dynamic Dimension Reduction
Andreas Jahn, Georg Hinselmann, Lars Rosenbaum, et al.
Molecular Informatics
|
July 28, 2016
Probabilistic Modeling of Conformational Space for 3D Machine Learning Approaches
Andreas Jahn, Georg Hinselmann, Nikolas Fechner, et al.
Molecular Informatics
|
July 28, 2016
A Free-Wilson-like Approach to Analyze QSAR Models Based on Graph Decomposition Kernels
Nikolas Fechner, Georg Hinselmann, Andreas Jahn, et al.
Page
of 2