Nikolas Fechner

According to our database, Nikolas Fechner authored at least 21 papers between 2007 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information.

Wouter Heyndrickx, Lewis H. Mervin, Tobias Morawietz, Noé Sturm, Lukas Friedrich, Adam Zalewski, Anastasia Pentina, Lina Humbeck, Martijn Oldenhof, Ritsuya Niwayama, Peter Schmidtke, Nikolas Fechner, Jaak Simm, Adam Arany, Nicolas Drizard, Rama Jabal, Arina Afanasyeva, Regis Loeb, Shlok Verma, Simon Harnqvist, Matthew Holmes, Balazs Pejo, Maria Telenczuk, Nicholas Holway, Arne Dieckmann, Nicola Rieke, Friederike Zumsande, Djork-Arné Clevert, Michael Krug, Christopher N. Luscombe, Darren V. S. Green, Peter Ertl, Peter Antal, David Marcus, Nicolas Do Huu, Hideyoshi Fuji, Stephen D. Pickett, Gergely Ács, Eric Boniface, Bernd Beck, Yax Sun, Arnaud Gohier, Friedrich Rippmann, Ola Engkvist, Andreas H. Göller, Yves Moreau, Mathieu N. Galtier, Ansgar Schuffenhauer, Hugo Ceulemans

J. Chem. Inf. Model., 2024

Balancing Molecular Size, Activity, Permeability, and Other Properties: Drug Candidates in the Context of Their Chemical Structure Optimization.

Maximilian Beckers, Finton Sirockin, Nikolas Fechner, Nikolaus Stiefl

J. Chem. Inf. Model., 2024

2023

PREFER: A New Predictive Modeling Framework for Molecular Discovery.

Jessica Lanini, Gianluca Santarossa, Finton Sirockin, Richard A. Lewis, Nikolas Fechner, Hubert Misztela, Sarah Lewis, Krzysztof Maziarz, Megan Stanley, Marwin H. S. Segler, Nikolaus Stiefl, Nadine Schneider

J. Chem. Inf. Model., August, 2023

2022

25 Years of Small-Molecule Optimization at Novartis: A Retrospective Analysis of Chemical Series Evolution.

Maximilian Beckers, Nikolas Fechner, Nikolaus Stiefl

J. Chem. Inf. Model., 2022

2020

Automated Identification of Chemical Series: Classifying like a Medicinal Chemist.

Franziska Kruger, Nikolas Fechner, Nikolaus Stiefl

J. Chem. Inf. Model., 2020

2017

Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining Approach.

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

J. Chem. Inf. Model., August, 2017

2013

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

Sereina Riniker, Nikolas Fechner, Gregory A. Landrum

J. Chem. Inf. Model., 2013

ChEMBLSpace - a graphical explorer of the chemogenomic space covered by the ChEMBL database.

Nikolas Fechner, George Papadatos, David A. Evans, John Richard Morphy, Suzanne Clare Brewerton, David A. Thorner, Michael J. Bodkin

Bioinform., 2013

2011

Structured Kernel-based Machine Learning for Cheminformatics.

Nikolas Fechner

PhD thesis, 2011

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

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

J. Chem. Inf. Model., 2011

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

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

J. Cheminformatics, 2011

Approximation of Graph Kernel Similarities for Chemical Graphs by Kernel Principal Component Analysis.

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

Proceedings of the Evolutionary Computation, Machine Learning and Data Mining in Bioinformatics, 2011

2010

Automatic pharmacophore model generation using weighted substructure assignments.

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

J. Cheminformatics, 2010

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

Georg Hinselmann, Nikolas Fechner, Andreas Jahn, Andreas Zell

J. Cheminformatics, 2010

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

Nikolas Fechner, Andreas Jahn, Georg Hinselmann, Andreas Zell

J. Cheminformatics, 2010

Kernel-based estimation of the applicability domain of QSAR models.

Nikolas Fechner, Georg Hinselmann, Andreas Jahn, Andreas Zell

J. Cheminformatics, 2010

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

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

Neurocomputing, 2010

2009

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

Nikolas Fechner, Andreas Jahn, Georg Hinselmann, Andreas Zell

J. Chem. Inf. Model., 2009

Optimal assignment methods for ligand-based virtual screening.

Andreas Jahn, Georg Hinselmann, Nikolas Fechner, Andreas Zell

J. Cheminformatics, 2009

Chronic Rat Toxicity Prediction of Chemical Compounds Using Kernel Machines.

Georg Hinselmann, Andreas Jahn, Nikolas Fechner, Andreas Zell

Proceedings of the Evolutionary Computation, 2009

2007

Comparison of Different Approaches to Vibration-based Terrain Classification.

Christian Weiss, Nikolas Fechner, Matthias Stark, Andreas Zell

Proceedings of the 3rd European Conference on Mobile Robots, 2007