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Nadine Schneider

3 results in Authors: Nadine Schneider

Theoretical and Computational Chemistry

UNIQUE: A Framework for Uncertainty Quantification Benchmarking

Jessica Lanini, Minh Tam Davide Huynh, Gaetano Scebba, Nadine Schneider, Raquel Rodríguez-Pérez

Version 1 posted 30 August 2024

548

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Theoretical and Computational Chemistry

SIMPD: an Algorithm for Generating Simulated Time Splits for Validating Machine Learning Approaches

Gregory A. Landrum, Maximilian Beckers, Jessica Lanini, Nadine Schneider, Nikolaus Stiefl, Sereina Riniker

Version 2 posted 04 September 2023

906

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1

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Theoretical and Computational Chemistry

Scaffold Hopping with Generative Reinforcement Learning

Luke Rossen, Finton Sirockin, Nadine Schneider, Francesca Grisoni

Version 2 posted 21 February 2025

890

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