W3104644561

• Graph neural networks in histopathology: Emerging trends and future directions

  2025 Medical Image Analysis article Computer Science AI in cancer detection Open access

  49

  citations
• The openOCHEM consensus model is the best-performing open-source predictive model in the First EUOS/SLAS joint compound solubility challenge

  2024 SLAS DISCOVERY article Computer Science Computational Drug Discovery Methods Open access

  21

  citations
• Graph Neural Networks for the Prediction of Molecular Structure–Property Relationships

  2023 Royal Society of Chemistry eBooks book-chapter Computer Science Computational Drug Discovery Methods

  29

  citations
• openOCHEM consensus model wins Kaggle First EUOS/SLAS Joint Compound Solubility Challenge

  2023 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

  0

  citations
• Physical pooling functions in graph neural networks for molecular property prediction

  2023 Computers & Chemical Engineering article Computer Science Computational Drug Discovery Methods Open access

  59

  citations
• Graph neural networks for temperature-dependent activity coefficient prediction of solutes in ionic liquids

  2023 Computers & Chemical Engineering article Chemical Engineering Ionic liquids properties and applications Open access

  86

  citations
• Graph machine learning for design of high‐octane fuels

  2022 AIChE Journal article Materials Science Machine Learning in Materials Science Open access

  36

  citations
• Potential Application of Machine-Learning-Based Quantum Chemical Methods in Environmental Chemistry

  2022 Environmental Science & Technology article Materials Science Machine Learning in Materials Science Open access

  61

  citations
• Accurate Simulations of the Reaction of H2on a Curved Pt Crystal through Machine Learning

  2021 The Journal of Physical Chemistry Letters article Materials Science Machine Learning in Materials Science Open access

  15

  citations

9 results