Nadine Schneider

11PUBLICATIONS
23CO-AUTHORS
Biomolecular modelling and designSemi- and unsupervised learningContext learningProcess control and simulationTheoretical quantum chemistry
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Publications (11)

|Sep 02, 2026
Multi-objective optimization in the context of generative chemistry.

|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

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Frequent Collaborators

3 joint publications

Gregory A Landrum

3 joint publications

Nikolas Fechner

3 joint publications

Raquel Rodríguez-Pérez

3 joint publications

Nikolaus Stiefl