Natalia Dyubankova

5PUBLICATIONS
23CO-AUTHORS
Bioinformatic methods developmentAutonomous agents and multiagent systemsPharmacogenomicsChemical and thermal processes in energy and combustionKnowledge representation and reasoning
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Publications (5)

|Dec 07, 2025
Combining Bayesian and Evidential Uncertainty Quantification for Improved Bioactivity Modeling.

Bola Khalil, Kajetan Schweighofer, Natalia Dyubankova

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

Jose Carlos Gómez-Tamayo, Joris Tavernier, Roy Aerts

|Apr 16, 2025
A Patient-Derived 3D Cyst Model of Polycystic Kidney Disease That Mimics Disease Development and Responds to Repurposing Candidates.

Alina Meyer, Bola Khalil, Margarita Iljin

|Aug 30, 2024
Probing machine learning models based on high throughput experimentation data for the discovery of asymmetric hydrogenation catalysts.

Adarsh V Kalikadien, Cecile Valsecchi, Robbert van Putten

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

Ramil Nugmanov, Natalia Dyubankova, Andrey Gedich

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Frequent Collaborators

2 joint publications

Jörg Kurt Wegner

2 joint publications

Herman van Vlijmen

2 joint publications

Gerard J P van Westen

2 joint publications

Bola Khalil