Nikolas Fechner

21 papers Journal 17Unranked 3

Year	Rank	Type	Title / Venue / Authors
2024	J	`jnl`	Balancing Molecular Size, Activity, Permeability, and Other Properties: Drug Candidates in the Context of Their Chemical Structure Optimization. J. Chem. Inf. Model. Maximilian Beckers, Finton Sirockin, Nikolas Fechner, Nikolaus Stiefl
2024	J	`jnl`	MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information. J. Chem. Inf. Model. 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
2023	J	`jnl`	PREFER: A New Predictive Modeling Framework for Molecular Discovery. J. Chem. Inf. Model. 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
2022	J	`jnl`	25 Years of Small-Molecule Optimization at Novartis: A Retrospective Analysis of Chemical Series Evolution. J. Chem. Inf. Model. Maximilian Beckers, Nikolas Fechner, Nikolaus Stiefl
2020	J	`jnl`	Automated Identification of Chemical Series: Classifying like a Medicinal Chemist. J. Chem. Inf. Model. Franziska Kruger, Nikolas Fechner, Nikolaus Stiefl
2017	J	`jnl`	Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining Approach. J. Chem. Inf. Model. Nadine Schneider, Nikolas Fechner, Gregory A. Landrum, Nikolaus Stiefl
2013	J	`jnl`	ChEMBLSpace - a graphical explorer of the chemogenomic space covered by the ChEMBL database. Bioinform. Nikolas Fechner, George Papadatos, David A. Evans, John Richard Morphy, Suzanne Clare Brewerton, David A. Thorner, Michael J. Bodkin
2013	J	`jnl`	Heterogeneous Classifier Fusion for Ligand-Based Virtual Screening: Or, How Decision Making by Committee Can Be a Good Thing. J. Chem. Inf. Model. Sereina Riniker, Nikolas Fechner, Gregory A. Landrum
2011	—	`conf`	Approximation of Graph Kernel Similarities for Chemical Graphs by Kernel Principal Component Analysis. EvoBio Georg Hinselmann, Andreas Jahn, Nikolas Fechner, Lars Rosenbaum, Andreas Zell
2011	J	`jnl`	Large-Scale Learning of Structure-Activity Relationships Using a Linear Support Vector Machine and Problem-Specific Metrics. J. Chem. Inf. Model. Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, Nikolas Fechner, Claude Ostermann, Andreas Zell
2011	—	`—`	Structured Kernel-based Machine Learning for Cheminformatics. Nikolas Fechner
2011	J	`jnl`	jCompoundMapper: An open source Java library and command-line tool for chemical fingerprints. J. Cheminformatics Georg Hinselmann, Lars Rosenbaum, Andreas Jahn, Nikolas Fechner, Andreas Zell
2010	J	`jnl`	Automatic pharmacophore model generation using weighted substructure assignments. J. Cheminformatics Andreas Jahn, Hannes Planatscher, Georg Hinselmann, Nikolas Fechner, Andreas Zell
2010	J	`jnl`	Efficient extraction of canonical spatial relationships using a recursive enumeration of k-subsets. J. Cheminformatics Georg Hinselmann, Nikolas Fechner, Andreas Jahn, Andreas Zell
2010	J	`jnl`	Estimation of the applicability domain of kernel-based machine learning models for virtual screening. J. Cheminformatics Nikolas Fechner, Andreas Jahn, Georg Hinselmann, Andreas Zell
2010	J	`jnl`	Graph kernels for chemical compounds using topological and three-dimensional local atom pair environments. Neurocomputing Georg Hinselmann, Nikolas Fechner, Andreas Jahn, Matthias Eckert, Andreas Zell
2010	J	`jnl`	Kernel-based estimation of the applicability domain of QSAR models. J. Cheminformatics Nikolas Fechner, Georg Hinselmann, Andreas Jahn, Andreas Zell
2009	J	`jnl`	Atomic Local Neighborhood Flexibility Incorporation into a Structured Similarity Measure for QSAR. J. Chem. Inf. Model. Nikolas Fechner, Andreas Jahn, Georg Hinselmann, Andreas Zell
2009	—	`conf`	Chronic Rat Toxicity Prediction of Chemical Compounds Using Kernel Machines. EvoBIO Georg Hinselmann, Andreas Jahn, Nikolas Fechner, Andreas Zell
2009	J	`jnl`	Optimal assignment methods for ligand-based virtual screening. J. Cheminformatics Andreas Jahn, Georg Hinselmann, Nikolas Fechner, Andreas Zell
2007	—	`conf`	Comparison of Different Approaches to Vibration-based Terrain Classification. EMCR Christian Weiss, Nikolas Fechner, Matthias Stark, Andreas Zell