Hinselmann, Georg: search on Z-Library

The world's largest scientific articles store. 70,000,000+ articles for free.

Don't use scam websites

1

Probabilistic Modeling of Conformational Space for 3D Machine Learning Approaches

Andreas Jahn, Georg Hinselmann, Nikolas Fechner, Carsten Henneges, Andreas Zell

Journal:

Molecular Informatics

Year:

2010

Language:

english

File:

PDF, 435 KB

english, 2010

2

jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints

Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, Nikolas Fechner, Andreas Zell

Journal:

Journal of Cheminformatics

Year:

2011

Language:

english

File:

PDF, 831 KB

english, 2011

3

Interpreting linear support vector machine models with heat map molecule coloring

Lars Rosenbaum, Georg Hinselmann, Andreas Jahn, Andreas Zell

Journal:

Journal of Cheminformatics

Year:

2011

Language:

english

File:

PDF, 1.43 MB

english, 2011

4

A Free–Wilson-like Approach to Analyze QSAR Models Based on Graph Decomposition Kernels

Nikolas Fechner, Georg Hinselmann, Andreas Jahn, Lars Rosenbaum, Andreas Zell

Journal:

Molecular Informatics

Year:

2010

Language:

english

File:

PDF, 293 KB

english, 2010

5

Boltzmann-Enhanced Flexible Atom-Pair Kernel with Dynamic Dimension Reduction

Andreas Jahn, Georg Hinselmann, Lars Rosenbaum, Nikolas Fechner , Andreas Zell

Journal:

Molecular Informatics

Year:

2011

Language:

english

File:

PDF, 511 KB

english, 2011

6

Graph kernels for chemical compounds using topological and three-dimensional local atom pair environments

Georg Hinselmann, Nikolas Fechner, Andreas Jahn, Matthias Eckert, Andreas Zell

Journal:

Year:

2010

Language:

english

File:

PDF, 531 KB

english, 2010

7

Estimation of the applicability domain of kernel-based machine learning models for virtual screening

Nikolas Fechner, Andreas Jahn, Georg Hinselmann, Andreas Zell

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 1.10 MB

english, 2010

8

Optimal assignment methods for ligand-based virtual screening

Andreas Jahn, Georg Hinselmann, Nikolas Fechner, Andreas Zell

Journal:

Journal of Cheminformatics

Year:

2009

Language:

english

File:

PDF, 3.15 MB

english, 2009

9

Efficient extraction of canonical spatial relationships using a recursive enumeration of k-subsets

Georg Hinselmann, Nikolas Fechner, A Jahn, Andreas Zell

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 160 KB

english, 2010

10

Kernel-based estimation of the applicability domain of QSAR models

Nikolas Fechner, Georg Hinselmann, A Jahn, A Zell

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 146 KB

english, 2010

11

Automatic pharmacophore model generation using weighted substructure assignments

Andreas Jahn, H Planatscher, Georg Hinselmann, Nikolas Fechner, A Zell

Journal:

Journal of Cheminformatics

Year:

2010

Language:

english

File:

PDF, 145 KB

english, 2010

12

4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening

Andreas Jahn, Lars Rosenbaum, Georg Hinselmann, Andreas Zell

Journal:

Journal of Cheminformatics

Year:

2011

Language:

english

File:

PDF, 1.76 MB

english, 2011

13

Atomic Local Neighborhood Flexibility Incorporation into a Structured Similarity Measure for QSAR

Fechner, Nikolas, Jahn, Andreas, Hinselmann, Georg, Zell, Andreas

Journal:

Journal of Chemical Information and Modeling

Year:

2009

Language:

english

File:

PDF, 1.74 MB

english, 2009

14

Large-Scale Learning of Structure−Activity Relationships Using a Linear Support Vector Machine and Problem-Specific Metrics

Hinselmann, Georg, Rosenbaum, Lars, Jahn, Andreas, Fechner, Nikolas, Ostermann, Claude, Zell, Andreas

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 1.24 MB

english, 2011

15

Modeling and Benchmark Data Set for the Inhibition of c-Jun N-terminal Kinase-3

Schattel, Verena, Hinselmann, Georg, Jahn, Andreas, Zell, Andreas, Laufer, Stefan

Journal:

Journal of Chemical Information and Modeling

Year:

2011

Language:

english

File:

PDF, 2.54 MB

english, 2011