Nikolas Fechner

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

Georg Hinselmann, Lars Rosenbaum, Andreas Jahn et al. · Journal of Cheminformatics · 2011 · 97 citations · Full text

Optimal assignment methods for ligand-based virtual screening

Andreas Jahn, Georg Hinselmann, Nikolas Fechner et al. · Journal of Cheminformatics · 2009 · 94 citations · Full text

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

Wouter Heyndrickx, Lewis Mervin, Tobias Morawietz et al. · Journal of Chemical Information and Modeling · 2023 · 94 citations · Full text

Engineering, Machine Learning, Machine Learning Tool +19

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 · 2010 · 53 citations · Full text

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 · Journal of Chemical Information and Modeling · 2013 · 46 citations