Jörg Kurt Wegner

6PUBLICATIONS
20CO-AUTHORS
Autonomous agents and multiagent systemsModels and simulations of designBiomolecular modelling and designKnowledge representation and reasoningReaction engineering (excl. nuclear reactions)
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Publications (6)

|Oct 16, 2025
MolAgent: Biomolecular Property Estimation in the Agentic Era.

Jose Carlos Gómez-Tamayo, Joris Tavernier, Roy Aerts

|Dec 12, 2024
Toward Dose Prediction at Point of Design.

Dries Van Rompaey, Siladitya Ray Chaudhuri, Mazen Ahmad

|Mar 31, 2023
A Symbolic Regression Model for the Prediction of Drug Binding to Human Liver Microsomes.

Dries Van Rompaey, Denise Morrison, An Van Den Bergh

|Jul 06, 2022
Bidirectional Graphormer for Reactivity Understanding: Neural Network Trained to Reaction Atom-to-Atom Mapping Task.

Ramil Nugmanov, Natalia Dyubankova, Andrey Gedich

|Jan 17, 2022
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks.

Philipp Seidl, Philipp Renz, Natalia Dyubankova

|Aug 30, 2018
Large-scale comparison of machine learning methods for drug target prediction on ChEMBL.

Andreas Mayr, Günter Klambauer, Thomas Unterthiner

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Frequent Collaborators

2 joint publications

Natalia Dyubankova

2 joint publications

Dries Van Rompaey

1 joint publications

Ramil Nugmanov

1 joint publications

Andrey Gedich