Maarten Dobbelaere
- ORCID iD
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0000-0002-8977-8569
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- Journal Article
- A1
- open access
Machine learning applications for thermochemical and kinetic property prediction
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Speeding up molecular property predictions for reaction engineers using machine learning
(2024) -
Ultrafast compound screening using molecular machine learning
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AI-driven green chemistry : towards more sustainable organic synthesis
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- Journal Article
- A1
- open access
Accelerated design of nickel-cobalt based catalysts for CO2 hydrogenation with human-in-the-loop active machine learning
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Property estimations with chemical accuracy for industrially relevant molecules using geometric deep learning
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- Journal Article
- A1
- open access
Geometric deep learning for molecular property predictions with chemical accuracy across chemical space
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- Journal Article
- A1
- open access
Rxn-INSIGHT : fast chemical reaction analysis using bond-electron matrices
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- Journal Article
- A1
- open access
Active machine learning for chemical engineers : a bright future lies ahead!
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Using thermodynamic principles to enhance machine learning predictions of activation energy