Nadine Schneider

ORCID

Publication Activity (10 Years)

Years Active: 2008-2023
Publications (10 Years): 11

Top Venues

University of Hamburg (PHD)

Education History

University of Hamburg

PHD

Publications

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
PREFER: A New Predictive Modeling Framework for Molecular Discovery. J. Chem. Inf. Model. 63 (15) (2023)
Gregory A. Landrum, Maximilian Beckers, Jessica Lanini, Nadine Schneider, Nikolaus Stiefl, Sereina Riniker
SIMPD: an algorithm for generating simulated time splits for validating machine learning approaches. J. Cheminformatics 15 (1) (2023)
Hagen Muenkler, Hubert Misztela, Michal Pikusa, Marwin H. S. Segler, Nadine Schneider, Krzysztof Maziarz
Are VAEs Bad at Reconstructing Molecular Graphs? CoRR (2023)
Krzysztof Maziarz, Henry Richard Jackson-Flux, Pashmina Cameron, Finton Sirockin, Nadine Schneider, Nikolaus Stiefl, Marwin H. S. Segler, Marc Brockschmidt
Learning to Extend Molecular Scaffolds with Structural Motifs. ICLR (2022)
Megan Stanley, John Bronskill, Krzysztof Maziarz, Hubert Misztela, Jessica Lanini, Marwin H. S. Segler, Nadine Schneider, Marc Brockschmidt
FS-Mol: A Few-Shot Learning Dataset of Molecules. NeurIPS Datasets and Benchmarks (2021)
Sascha Kremer, Julia Christmann-Thoma, Kristof Kamm, Michael Matejek, Nadine Schneider
Datentransfer nach Art. 49 DSGVO: Was geht, wenn sonst nichts geht? - Gleichwertige Alternativen zu Angemessenheitsbeschluss und geeigneten Garantien nach unionsrechtlicher Auslegung. Comput. und Recht 37 (12) (2021)
Krzysztof Maziarz, Henry Jackson-Flux, Pashmina Cameron, Finton Sirockin, Nadine Schneider, Nikolaus Stiefl, Marc Brockschmidt
Learning to Extend Molecular Scaffolds with Structural Motifs. CoRR (2021)
Carmen Esposito, Gregory A. Landrum, Nadine Schneider, Nikolaus Stiefl, Sereina Riniker
GHOST: Adjusting the Decision Threshold to Handle Imbalanced Data in Machine Learning. J. Chem. Inf. Model. 61 (6) (2021)
Nathan Brown, Peter Ertl, Richard A. Lewis, Torsten Luksch, Daniel Reker, Nadine Schneider
Artificial intelligence in chemistry and drug design. J. Comput. Aided Mol. Des. 34 (7) (2020)
Nadine Schneider, Nikolas Fechner, Gregory A. Landrum, Nikolaus Stiefl
Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining Approach. J. Chem. Inf. Model. 57 (8) (2017)
Nadine Schneider, Nikolaus Stiefl, Gregory A. Landrum
What's What: The (Nearly) Definitive Guide to Reaction Role Assignment. J. Chem. Inf. Model. 56 (12) (2016)
Nadine Schneider, Roger A. Sayle, Gregory A. Landrum
Get Your Atoms in Order - An Open-Source Implementation of a Novel and Robust Molecular Canonicalization Algorithm. J. Chem. Inf. Model. 55 (10) (2015)
Nadine Schneider, Daniel M. Lowe, Roger A. Sayle, Gregory A. Landrum
Corrections to "Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity". J. Chem. Inf. Model. 55 (2) (2015)
Nadine Schneider, Daniel M. Lowe, Roger A. Sayle, Gregory A. Landrum
Development of a Novel Fingerprint for Chemical Reactions and Its Application to Large-Scale Reaction Classification and Similarity. J. Chem. Inf. Model. 55 (1) (2015)
Eva Nittinger, Nadine Schneider, Gudrun Lange, Matthias Rarey
Evidence of Water Molecules - A Statistical Evaluation of Water Molecules Based on Electron Density. J. Chem. Inf. Model. 55 (4) (2015)
Eva Vennmann, Nadine Schneider, Gudrun Lange, Matthias Rarey
Elucidating protein-protein interactions using the HYDE scoring function. J. Cheminformatics 6 (S-1) (2014)
Nadine Schneider, Gudrun Lange, Sally A. Hindle, Robert Klein, Matthias Rarey
A consistent description of HYdrogen bond and DEhydration energies in protein-ligand complexes: methods behind the HYDE scoring function. J. Comput. Aided Mol. Des. 27 (1) (2013)
Nadine Schneider, Sally A. Hindle, Gudrun Lange, Robert Klein, Jürgen Albrecht, Hans Briem, Kristin Beyer, Holger Claußen, Marcus Gastreich, Christian Lemmen, Matthias Rarey
Substantial improvements in large-scale redocking and screening using the novel HYDE scoring function. J. Comput. Aided Mol. Des. 26 (6) (2012)
Nadine Schneider, Gudrun Lange, Robert Klein, Christian Lemmen, Matthias Rarey
HYDEing the false positives - scoring for lead optimization. J. Cheminformatics 3 (S-1) (2011)
Nadine Schneider, Christine Jäckels, Claudia Andres, Michael C. Hutter
Gradual in Silico Filtering for Druglike Substances. J. Chem. Inf. Model. 48 (3) (2008)

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Publication Activity (10 Years)

Top Topics

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Nadine Schneider