| Machine Learning in Chemical Engineering: Strengths, Weaknesses, Opportunities, and Threats MR Dobbelaere, PP Plehiers, R Van de Vijver, CV Stevens, ... Engineering 7 (9), 1201-1211, 2021 | 236 | 2021 |
| Machine learning for physicochemical property prediction of complex hydrocarbon mixtures MR Dobbelaere, Y Ureel, FH Vermeire, L Tomme, CV Stevens, ... Industrial & Engineering Chemistry Research 61 (24), 8581-8594, 2022 | 36 | 2022 |
| Bayesian tuned kinetic Monte Carlo modeling of polystyrene pyrolysis: Unraveling the pathways to its monomer, dimers, and trimers formation O Dogu, A Eschenbacher, RJ Varghese, M Dobbelaere, DR D'hooge, ... Chemical Engineering Journal 455, 140708, 2023 | 26 | 2023 |
| Speeding up turbulent reactive flow simulation via a deep artificial neural network: A methodology study Y Ouyang, LA Vandewalle, L Chen, PP Plehiers, MR Dobbelaere, ... Chemical Engineering Journal 429, 132442, 2022 | 25 | 2022 |
| Active learning-based exploration of the catalytic pyrolysis of plastic waste Y Ureel, MR Dobbelaere, O Akin, RJ Varghese, CG Pernalete, ... Fuel 328, 125340, 2022 | 24 | 2022 |
| Artificial Intelligence for Computer-Aided Synthesis In Flow: Analysis and Selection of Reaction Components PP Plehiers, CW Coley, H Gao, FH Vermeire, MR Dobbelaere, ... Frontiers in Chemical Engineering 2, 5, 2020 | 21 | 2020 |
| Learning Molecular Representations for Thermochemistry Prediction of Cyclic Hydrocarbons and Oxygenates MR Dobbelaere, PP Plehiers, R Van de Vijver, CV Stevens, ... The Journal of Physical Chemistry A 125 (23), 5166–5179, 2021 | 17 | 2021 |
| Active machine learning for chemical engineers: a bright future lies ahead! Y Ureel, MR Dobbelaere, Y Ouyang, K De Ras, MK Sabbe, GB Marin, ... Engineering 27, 23-30, 2023 | 13 | 2023 |
| Geometric deep learning for molecular property predictions with chemical accuracy across chemical space MR Dobbelaere, I Lengyel, CV Stevens, KM Van Geem Journal of Cheminformatics 16 (99), 1-15, 2024 | 3 | 2024 |
| Rxn-INSIGHT: fast chemical reaction analysis using bond-electron matrices MR Dobbelaere, I Lengyel, CV Stevens, KM Van Geem Journal of Cheminformatics 16 (37), 1-14, 2024 | 2 | 2024 |
| Eco-pharma dilemma: Navigating environmental sustainability trade-offs within the lifecycle of pharmaceuticals–A comment CTA Moermond, N Puhlmann, L Pieters, A Matharu, L Boone, ... Sustainable Chemistry and Pharmacy 43, 101893, 2025 | | 2025 |
| Machine learning applications for thermochemical and kinetic property prediction L Tomme, Y Ureel, MR Dobbelaere, I Lengyel, FH Vermeire, CV Stevens, ... Reviews in Chemical Engineering, 2024 | | 2024 |
| Accelerated design of nickel-cobalt based catalysts for CO2 hydrogenation with human-in-the-loop active machine learning Y Kuddusi, MR Dobbelaere, KM Van Geem, A Züttel Catalysis Science & Technology 14, 6307-6320, 2024 | | 2024 |
| Ultrafast Compound Screening Using Molecular Machine Learning G Dejaeghere, M Dobbelaere, I Lengyel, C Stevens, K Van Geem CESPE Conference (CESPE24), 2024 | | 2024 |
| AI-Driven Green Chemistry: Towards More Sustainable Organic Synthesis (Invited Lecture) M Dobbelaere, I Lengyel, C Stevens, K Van Geem CESPE Conference (CESPE24), 2024 | | 2024 |
| Property Estimations with Chemical Accuracy for Industrially Relevant Molecules Using Geometric Deep Learning M Dobbelaere, I Lengyel, C Stevens, K Van Geem ISCRE28, 2024 | | 2024 |
| Using Thermodynamic Principles to Enhance Machine Learning Predictions of Activation Energy L Tomme, M Dobbelaere, F Vermeire, C Stevens, K Van Geem 14th European Congress of Chemical Engineering and 7th European Congress of …, 2023 | | 2023 |
| Reaction Data in Flow Chemistry: a Power or a Weakness? M Dobbelaere, I Lengyel, C Stevens, K Van Geem ACS Fall 2023 (ACS Fall 2023), 2023 | | 2023 |
| Ultrafast Solvent Selection with Geometric Message Passing Neural Networks M Dobbelaere, I Lengyel, D West, C Stevens, K Van Geem ACS Fall 2023 (ACS Fall 2023), 2023 | | 2023 |
| Exploring the Reaction Space of Flow Chemistry M Dobbelaere, L Tomme, I Lengyel, C Stevens, K Van Geem Solvay Workshop" New ways to do chemistry Emerging technologies for …, 2023 | | 2023 |
kevin van geemuniversiteit gent確認したメール アドレス: ugent.be
