Research Explorer

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Researcher

Istvan Lengyel

Awards & Distinctions

12 Results

2025

Digitalizing Chemical Reaction Engineering: From Molecule to Process

Maarten DobbelaereYasemen KuddusiIstvan LengyelChristian StevensKevin Van Geem

Machine learning applications for thermochemical and kinetic property prediction

Lowie TommeYannick UreelMaarten DobbelaereIstvan LengyelFlorence VermeireChristian StevensKevin Van Geem

A1 Journal Article in REVIEWS IN CHEMICAL ENGINEERING

2024

AI-driven green chemistry : towards more sustainable organic synthesis

Maarten DobbelaereIstvan LengyelChristian StevensKevin Van Geem

Geometric deep learning for molecular property predictions with chemical accuracy across chemical space

Maarten DobbelaereIstvan LengyelChristian StevensKevin Van Geem

A1 Journal Article in JOURNAL OF CHEMINFORMATICS

Property estimations with chemical accuracy for industrially relevant molecules using geometric deep learning

Maarten DobbelaereIstvan LengyelChristian StevensKevin Van Geem

Rxn-INSIGHT : fast chemical reaction analysis using bond-electron matrices

Maarten DobbelaereIstvan LengyelChristian StevensKevin Van Geem

A1 Journal Article in JOURNAL OF CHEMINFORMATICS

Speeding up molecular property predictions for reaction engineers using machine learning

Maarten DobbelaereIstvan LengyelChristian StevensKevin Van Geem

Ultrafast compound screening using molecular machine learning

Gaston DejaeghereMaarten DobbelaereIstvan LengyelChristian StevensKevin Van Geem

2023

Exploring the reaction space of flow chemistry

Maarten DobbelaereLowie TommeIstvan LengyelChristian StevensKevin Van Geem

Reaction data in flow chemistry : a power or a weakness?

Maarten DobbelaereIstvan LengyelChristian StevensKevin Van Geem

Towards big data in flow chemistry : popularity trends and best practices

Maarten DobbelaereLowie TommeIstvan LengyelChristian StevensKevin Van Geem

Ultrafast solvent selection with geometric message passing neural networks

Maarten DobbelaereIstvan LengyelDavid WestChristian StevensKevin Van Geem