Publications by authors named "Peter Hartog"

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Investigations into the Efficiency of Computer-Aided Synthesis Planning.
Peter B R Hartog, Annie M Westerlund, Igor V Tetko, Samuel Genheden

J Chem Inf Model· February 2025

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Using test-time augmentation to investigate explainable AI: inconsistencies between method, model and human intuition.
Peter B R Hartog, Fabian Krüger, Samuel Genheden, Igor V Tetko

J Cheminform· April 2024

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The openOCHEM consensus model is the best-performing open-source predictive model in the First EUOS/SLAS joint compound solubility challenge.
Andrea Hunklinger, Peter Hartog, Martin Šícho, Guillaume Godin, Igor V Tetko

SLAS Discov· March 2024

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Proteochemometric Modeling Identifies Chemically Diverse Norepinephrine Transporter Inhibitors.
Brandon J Bongers, Huub J Sijben, Peter B R Hartog, Andrey Tarnovskiy, Adriaan P IJzerman

J Chem Inf Model· March 2023

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Label-free high-throughput screening assay for the identification of norepinephrine transporter (NET/SLC6A2) inhibitors.
Hubert J Sijben, Wieke M van Oostveen, Peter B R Hartog, Laura Stucchi, Andrea Rossignoli

Sci Rep· June 2021

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