Search results for: Cheminformatics

• Journal of Cheminformatics

  Journals

  ISSN: 1758-2946

• Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction

  Publication

  • K. Baran
  • A. Kloskowski

  - JOURNAL OF PHYSICAL CHEMISTRY B - Year 2023

  Ionic liquids (ILs) provide a promising solution in many industrial applications, such as solvents, absorbents, electrolytes, catalysts, lubricants, and many others. However, due to the enormous variety of their structures, uncovering or designing those with optimal attributes requires expensive and exhaustive simulations and experiments. For these reasons, searching for an efficient theoretical tool for finding the relationship...

  Full text available to download

• Łukasz Szeremeta

  People

  My current research areas are issues related to the Property Graphs, Cheminformatics and Semantic Web. I am also interested in the latest applications of Artificial Intelligence.