Fechner, Nikolas : rechercher sur Z-Library

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1

Probabilistic Modeling of Conformational Space for 3D Machine Learning Approaches

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

Journal:

Molecular Informatics

Année:

2010

Langue:

english

Fichier:

PDF, 435 KB

english, 2010

2

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

Année:

2010

Langue:

english

Fichier:

PDF, 1.10 MB

english, 2010

3

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

Année:

2011

Langue:

english

Fichier:

PDF, 831 KB

english, 2011

4

Chemical topic modeling: Exploring molecular datasets using a common text-mining approach

Schneider, Nadine, Fechner, Nikolas, Landrum, Gregory A., Stiefl, Nikolaus

Journal:

Journal of Chemical Information and Modeling

Année:

2017

Langue:

english

Fichier:

PDF, 4.76 MB

english, 2017

5

Chiral cliffs: Investigating the influence of chirality on binding affinity

Schneider, Nadine, Lewis, Richard A, Fechner, Nikolas, Ertl, Peter

Journal:

Année:

2018

Langue:

english

Fichier:

PDF, 2.54 MB

english, 2018

6

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

Année:

2010

Langue:

english

Fichier:

PDF, 293 KB

english, 2010

7

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

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

Journal:

Molecular Informatics

Année:

2011

Langue:

english

Fichier:

PDF, 511 KB

english, 2011

8

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:

Année:

2010

Langue:

english

Fichier:

PDF, 531 KB

english, 2010

9

Optimal assignment methods for ligand-based virtual screening

Andreas Jahn, Georg Hinselmann, Nikolas Fechner, Andreas Zell

Journal:

Journal of Cheminformatics

Année:

2009

Langue:

english

Fichier:

PDF, 3.15 MB

english, 2009

10

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

Année:

2010

Langue:

english

Fichier:

PDF, 160 KB

english, 2010

11

Kernel-based estimation of the applicability domain of QSAR models

Nikolas Fechner, Georg Hinselmann, A Jahn, A Zell

Journal:

Journal of Cheminformatics

Année:

2010

Langue:

english

Fichier:

PDF, 146 KB

english, 2010

12

Automatic pharmacophore model generation using weighted substructure assignments

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

Journal:

Journal of Cheminformatics

Année:

2010

Langue:

english

Fichier:

PDF, 145 KB

english, 2010

13

Heterogeneous Classifier Fusion for Ligand-Based Virtual Screening: Or, How Decision Making by Committee Can Be a Good Thing

Riniker, Sereina, Fechner, Nikolas, Landrum, Gregory A.

Journal:

Journal of Chemical Information and Modeling

Année:

2013

Langue:

english

Fichier:

PDF, 2.04 MB

english, 2013

14

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

Année:

2009

Langue:

english

Fichier:

PDF, 1.74 MB

english, 2009

15

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

Année:

2011

Langue:

english

Fichier:

PDF, 1.24 MB

english, 2011

16

Automated identification of chemical series: Classifying like a medicinal chemist

Kruger, Franziska, Fechner, Nikolas, Stiefl, Nikolaus

Journal:

Journal of Chemical Information and Modeling

Année:

2020

Fichier:

PDF, 1.50 MB

2020

17

Evolution of Novartisâ Small Molecule Screening Deck Design

Schuffenhauer, Ansgar, Schneider, Nadine, Hintermann, Samuel, Auld, Douglas, Blank, Jutta, Cotesta, Simona, Engeloch, Caroline, Fechner, Nikolas, Gaul, Christoph, Giovannoni, Jerome, Jansen, Johanna,

Journal:

Journal of Medicinal Chemistry

Année:

2020

Fichier:

PDF, 7.32 MB

2020