Using Machine Learning To Predict Suitable Conditions for Organic Reactions

• Empowering Reactivity Predictions through Noise-Based Data Augmentation

  2025 Journal of the American Chemical Society article Materials Science Machine Learning in Materials Science

  15

  citations
• Discovery of Ni(I) Complexes for CO2 Insertion Enabled by a Machine Learning-Computational-Selection Sequence

  2025 Journal of the American Chemical Society article Chemical Engineering Carbon dioxide utilization in catalysis Open access

  12

  citations
• Machine learning to support prospective life cycle assessment of emerging chemical technologies

  2024 Current Opinion in Green and Sustainable Chemistry review Environmental Science Environmental Impact and Sustainability Open access

  19

  citations
• ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction

  2024 Chemical Engineering Journal article Engineering Phase Equilibria and Thermodynamics Open access

  33

  citations
• Multienzyme-catalyzed processes in asymmetric synthesis: state of the art and future trends

  2024 Elsevier eBooks book-chapter Biochemistry, Genetics and Molecular Biology Enzyme Catalysis and Immobilization

  0

  citations
• Machine Learning-Guided Development of Trialkylphosphine Ni (I) Dimers and Applications in Site-Selective Catalysis

  2023 Journal of the American Chemical Society article Chemistry Catalytic Cross-Coupling Reactions

  43

  citations
• APPROPRIATE Life Cycle Assessment: A PRO cess-Specific, PR edictive I mpact A ssessmen T Method for Emerging Chemical Processes

  2023 ACS Sustainable Chemistry & Engineering article Environmental Science Environmental Impact and Sustainability Open access cited by 1 patent

  56

  citations
• ML-SAFT: A machine learning framework for PCP-SAFT parameter prediction

  2023 ChemRxiv preprint Engineering Phase Equilibria and Thermodynamics Open access

  6

  citations
• Is ChatGPT a Reliable Source for Writing Review Articles in Catalysis Research? A Case Study on CO2 Hydrogenation to Higher Alcohols

  2023 Preprints.org preprint Arts and Humanities Academic Writing and Publishing Open access

  13

  citations
• Boosting autonomous process design and intensification with formalized domain knowledge

  2022 Computers & Chemical Engineering article Engineering Process Optimization and Integration Open access

  8

  citations
• Accelerated dinuclear palladium catalyst identification through unsupervised machine learning

  2021 Science article Materials Science Machine Learning in Materials Science

  176

  citations

11 results