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NMRShiftDB turns 20 years old

20 Dec,2023 stein

Thanks to the unwavering support of Stefan Kuhn and Nils Schlörer, the open NMR database NMRShiftDB turns 20 years old this year. On this occasion, we have published a paper on the past, current and future developments of the database in Magnetic Resonance in Chemistry.

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Cheminformatics Microservice: unifying access to open cheminformatics toolkits
An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package

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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