Search results for: Cheminformatics

• Chemoinformatics Methods for Studying Biomolecules

  Publication

  • A. Liwo
  • C. Czaplewski
  • S. Ołdziej
  • B. Zaborowski
  • D. Jagieła
  • J. Lee

  - Year 2017

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• Journal of Cheminformatics

  Journals

  ISSN: 1758-2946

• Chemoinformatic Approach to Assess Toxicity of Ionic Liquids

  Publication

  • A. Sosnowska
  • A. Rybinska-Fryca
  • M. Barycki
  • K. Jagiello
  • T. Puzyn

  - Year 2018

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• 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...

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• Increasing conclusiveness of metabonomic studies by cheminformatic preprocessing of capillary electrophoretic data on urinary nucleoside profiles

  Publication

  • E. Szymańska
  • M. Markuszewski
  • X. Capron
  • A. van
  • Y. Heyden
  • M. Markuszewski
  • K. Krajka
  • R. Kaliszan

  - Journal of Pharmaceutical and Biomedical Analysis - Year 2007

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• 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.

• How thermal stability of ionic liquids leads to more efficient TiO2-based nanophotocatalysts: Theoretical and experimental studies

  Publication

  • A. Rybińska-fryca
  • A. Mikoajczyk
  • J. Łuczak
  • M. Paszkiewicz-Gawron
  • M. Paszkiewicz
  • A. Zaleska-Medynska
  • T. Puzyn

  - JOURNAL OF COLLOID AND INTERFACE SCIENCE - Year 2020

  Ionic liquids (ILs) containing distinct nitrogen-bearing organic cations (pyridinium, pyrrolidinium, imidazolium, ammonium, morpholinium) were first used for the preparation of 23 IL-TiO2 types of composites by ionic liquid assisted solvothermal synthesis. These 23 optimal ILs structures (i.e. compounds exhibiting an optimal combination of specific properties, functionality, and safety) for synthesis and experimental validation...

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