Rxn-INSIGHT: fast chemical reaction analysis using bond-electron matrices
Dobbelaere, Maarten R., Lengyel, István, Stevens, Christian V., Van Geem, Kevin M.
Published in Journal of cheminformatics (29.03.2024)
Published in Journal of cheminformatics (29.03.2024)
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Journal Article
Learning Molecular Representations for Thermochemistry Prediction of Cyclic Hydrocarbons and Oxygenates
Dobbelaere, Maarten R, Plehiers, Pieter P, Van de Vijver, Ruben, Stevens, Christian V, Van Geem, Kevin M
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.06.2021)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (17.06.2021)
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Journal Article
Active Machine Learning for Chemical Engineers: A Bright Future Lies Ahead
Ureel, Yannick, Dobbelaere, Maarten R., Ouyang, Yi, De Ras, Kevin, Sabbe, Maarten K., Marin, Guy B., Van Geem, Kevin M.
Published in Engineering (Beijing, China) (01.08.2023)
Published in Engineering (Beijing, China) (01.08.2023)
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Journal Article
Machine Learning for Physicochemical Property Prediction of Complex Hydrocarbon Mixtures
Dobbelaere, Maarten R., Ureel, Yannick, Vermeire, Florence H., Tomme, Lowie, Stevens, Christian V., Van Geem, Kevin M.
Published in Industrial & engineering chemistry research (22.06.2022)
Published in Industrial & engineering chemistry research (22.06.2022)
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Journal Article
Speeding up turbulent reactive flow simulation via a deep artificial neural network: A methodology study
Ouyang, Yi, Vandewalle, Laurien A., Chen, Lin, Plehiers, Pieter P., Dobbelaere, Maarten R., Heynderickx, Geraldine J., Marin, Guy B., Van Geem, Kevin M.
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (01.02.2022)
Published in Chemical engineering journal (Lausanne, Switzerland : 1996) (01.02.2022)
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Journal Article
Artificial Intelligence for Computer-Aided Synthesis In Flow: Analysis and Selection of Reaction Components
Plehiers, Pieter P., Coley, Connor W., Gao, Hanyu, Vermeire, Florence H., Dobbelaere, Maarten R., Stevens, Christian V., Van Geem, Kevin M., Green, William H.
Published in Frontiers in chemical engineering (04.08.2020)
Published in Frontiers in chemical engineering (04.08.2020)
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Journal Article