Nadine Schneider
10PUBLICATIONS
21CO-AUTHORS
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Publications (10)
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|Jun 26, 2025
Scaffold Hopping with Generative Reinforcement Learning.Luke Rossen, Finton Sirockin, Nadine Schneider
|Nov 14, 2024
UNIQUE: A Framework for Uncertainty Quantification Benchmarking.Jessica Lanini, Minh Tam Davide Huynh, Gaetano Scebba
|Jul 24, 2023
PREFER: A New Predictive Modeling Framework for Molecular Discovery.Jessica Lanini, Gianluca Santarossa, Finton Sirockin
|Nov 28, 2022
Multispecies Machine Learning Predictions of In Vitro Intrinsic Clearance with Uncertainty Quantification Analyses.Raquel Rodríguez-Pérez, Markus Trunzer, Nadine Schneider
|Dec 29, 2021
Chemical Reactivity Prediction: Current Methods and Different Application Areas.Peter Ertl, Grégori Gerebtzoff, Richard Lewis
|Jun 08, 2021
GHOST: Adjusting the Decision Threshold to Handle Imbalanced Data in Machine Learning.Carmen Esposito, Gregory A Landrum, Nadine Schneider
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Frequent Collaborators
3 joint publications
Gregory A Landrum
3 joint publications
Nikolas Fechner
3 joint publications
Nikolaus Stiefl
2 joint publications
Richard Lewis
2 joint publications
Finton Sirockin
2 joint publications
Raquel Rodríguez-Pérez
1 joint publications
Francesca Grisoni
1 joint publications
Ansgar Schuffenhauer
1 joint publications
Samuel Hintermann
1 joint publications
Christoph Gaul
