Publications by authors named "Janosch Menke"

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Efficient decoy selection to improve virtual screening using machine learning models.
Felipe Victoria-Muñoz, Janosch Menke, Norberto Sanchez-Cruz, Oliver Koch

J Cheminform· October 2025

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Human-in-the-loop active learning for goal-oriented molecule generation.
Yasmine Nahal, Janosch Menke, Julien Martinelli, Markus Heinonen, Mikhail Kabeshov

J Cheminform· December 2024

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Metis: a python-based user interface to collect expert feedback for generative chemistry models.
Janosch Menke, Yasmine Nahal, Esben Jannik Bjerrum, Mikhail Kabeshov, Samuel Kaski

J Cheminform· August 2024

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Similarity-based pairing improves efficiency of siamese neural networks for regression tasks and uncertainty quantification.
Yumeng Zhang, Janosch Menke, Jiazhen He, Eva Nittinger, Christian Tyrchan

J Cheminform· August 2023

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Introduction to artificial intelligence and deep learning using interactive electronic programming notebooks.
Janosch Menke, Samuel Homberg, Oliver Koch

Arch Pharm (Weinheim)· July 2023

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Natural product scores and fingerprints extracted from artificial neural networks.
Janosch Menke, Joana Massa, Oliver Koch

Comput Struct Biotechnol J· July 2021

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Computational Ion Channel Research: from the Application of Artificial Intelligence to Molecular Dynamics Simulations.
Janosch Menke, Sarah Maskri, Oliver Koch

Cell Physiol Biochem· March 2021

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Using Domain-Specific Fingerprints Generated Through Neural Networks to Enhance Ligand-Based Virtual Screening.
Janosch Menke, Oliver Koch

J Chem Inf Model· February 2021

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