Daniel Merkle

8PUBLICATIONS
19CO-AUTHORS
Software testing, verification and validationChemical thermodynamics and energeticsFormal methods for softwareChemical and thermal processes in energy and combustionProcess control and simulation
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Publications (8)

|Apr 23, 2026
ProQSAR: A modular and reproducible framework for small-data QSAR modeling with fit-and-use models.

|Jan 19, 2026
A Sensitivity Analysis Methodology for Rule-Based Stochastic Chemical Systems.

Erika M Herrera Machado, Jakob L Andersen, Rolf Fagerberg

|Dec 03, 2025
SynKit: A Graph-Based Python Framework for Rule-Based Reaction Modeling and Analysis.

Tieu-Long Phan, Marcos E González Laffitte, Klaus Weinbauer

|Jun 10, 2025
Finding Thermodynamically Favorable Pathways in Chemical Reaction Networks Using Flows in Hypergraphs and Mixed-Integer Linear Programming.

Adittya Pal, Rolf Fagerberg, Jakob Lykke Andersen

|Feb 28, 2025
SynTemp: Efficient Extraction of Graph-Based Reaction Rules from Large-Scale Reaction Databases.

Tieu-Long Phan, Klaus Weinbauer, Marcos E González Laffitte

|Feb 03, 2025
Pathway Realizability in Chemical Networks.

Jakob L Andersen, Sissel Banke, Rolf Fagerberg

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Frequent Collaborators

5 joint publications

Rolf Fagerberg

3 joint publications

Tieu-Long Phan

2 joint publications

Jakob Lykke Andersen

1 joint publications

Walter Fontana