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ErtlFunctionalGroupsFinder paper now live

5 Jun,2019 stein

It is my please to announce the availability of our latest publication on the CDK implementation of the ErtlFunctionalGroupsFinder, which is now live at the Journal of Cheminformatics

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PhD Position in Bioinformatics/Cheminformatics
Our Nature Chemical Biology paper on polyketide structure prediction from Bacterial trans-acyltransferase polyketide synthases

News

  • MARCUS: Molecular Annotation and Recognition for Curating Unravelled Structures
  • Comparative Analysis of Chemical Structure String Representations for Neural Machine Translation
  • Cheminformatics Microservice V3
  • New Postdoc Position available
  • STOUT V2.0: SMILES to IUPAC name conversion using transformer models

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