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Scientific topics: Mathematical chemistry

5 materials found
  • Tutorial

    cpLogD: Predicting Water–Octanol Distribution Coefficient (logD) for Chemical Compounds

    ELIXIR node event
    Toxicology Medicinal chemistry Chemistry Water–Octanol Distribution Coefficient
  • Tutorial

    Registering SwissLipids identifiers in Wikidata

    Chemistry lipids Wikidata
  • Tutorial

    SOM Prediction: Site-of-Metabolism Prediction

    ELIXIR node event
    Biology Chemistry Metabolism Site-of-Metabolism Prediction
  • Creating InChIKeys for IUPAC names

    ELIXIR node event
    Chemistry Cheminformatics OPSIN IUPAC name InChIKeys
  • Book

    Groovy Cheminformatics with the Chemistry Development Kit

    • Beginner
    Cheminformatics Chemistry
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