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Search results for: chemoinformatics
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KatedrA Chemii Fizycznej
Research Potential1.Termodynamika i struktura roztworów, oddziaływania międzycząsteczkowe w roztworach - badania termodynamiczne, spektroskopowe i teoretyczne. 2. Fizykochemiczne podstawy analizy środowiskowej.
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Katedra Technologii Chemicznej
Research PotentialTechnologie gazu z łupków
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Search results for: chemoinformatics
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Chemoinformatics Methods for Studying Biomolecules
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Chemoinformatic Approach to Assess Toxicity of Ionic Liquids
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Journal of Cheminformatics
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Graph Neural Networks and Structural Information on Ionic Liquids: A Cheminformatics Study on Molecular Physicochemical Property Prediction
PublicationIonic 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
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