W3100157108

• Deep Learning‐Driven Exploration of Pyrroloquinoline Quinone Neuroprotective Activity in Alzheimer's Disease

  2024 Advanced Science article Medicine Alzheimer's disease research and treatments Open access

  22

  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
• Artificial intelligence for natural product drug discovery

  2023 Nature Reviews Drug Discovery review Computer Science Computational Drug Discovery Methods Open access

  454

  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
• 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
• Featurizing chemistry for machine learning — methods and a coded example

  2022 Current Opinion in Chemical Engineering review Materials Science Machine Learning in Materials Science

  11

  citations
• Graph Neural Networks for Prediction of Fuel Ignition Quality

  2020 Energy & Fuels article Materials Science Machine Learning in Materials Science

  142

  citations

8 results