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Biological and Medicinal Chemistry

(2)

Theoretical and Computational Chemistry

(5)

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Menke Janosch

5 results in Authors: Menke Janosch

Biological and Medicinal Chemistry

Natural Product Scores and Fingerprints Extracted from Artificial Neural Networks.

Janosch Menke, Joana Massa, Oliver Koch

Version 2 posted 26 July 2021

379

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Theoretical and Computational Chemistry

Using Domain-specific Fingerprints Generated Through Neural Networks to Enhance Ligand-based Virtual Screening.

Janosch Menke, Oliver Koch

Version 1 posted 31 August 2020

763

Downloads

1

Citations

Biological and Medicinal Chemistry

Interpreting Graph Neural Networks with Myerson Values for Cheminformatics Approaches

Samuel Homberg, Menke Janosch, Garrett M. Morris, Oliver Koch

Version 1 posted 08 May 2023

430

Downloads

Theoretical and Computational Chemistry

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, Ola Engkvist

Version 1 posted 14 May 2024

907

Downloads

Theoretical and Computational Chemistry

Python-Based Interactive RDKit Molecule Editing with rdEditor

Esben Jannik Bjerrum, Kovas Palunas, Janosch Menke

Version 1 posted 06 March 2024

541

Downloads