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Vorstellung Vertiefungsfach Analytische Chemie

28 Jan,2019 stein

Folien zur Vorstellung des Vertiefungsfaches Analytische Chemie im Master

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Slides of Steinbeck talk at German Conference on Chemoinformatics (GCC), 13.11.2018
Talk presented at Karlsruhe Institute of Technology (KIT)

News

  • STOUT V2.0: SMILES to IUPAC name conversion using transformer models
  • COCONUT 2.0: a comprehensive overhaul and curation ofthe collection of open natural products database
  • Advancements in hand-drawn chemical structure recognition through an enhanced DECIMER architecture
  • An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package
  • NMRShiftDB turns 20 years old

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