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Cheminformatics 2.0

A blog about chemical information software for next generation computing environments.

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Recent Posts

  • InChI for inorganics 10-Sep-2019
  • FAIR Data Hackathon / BioAssay Express 8-Apr-2019
  • Overlapping biology: Cell Line Ontology and BRENDA 5-Dec-2018
  • Mixtures: extracting from text 14-Nov-2018
  • Molecular Notebook with “dark mode” 20-Oct-2018
  • Bond Artifacts in SketchEl2, and round-trip MDL Molfile 23-Sep-2018
  • Mixtures & cheminformatics 27-Aug-2018
  • Adventures with combining PubMed and ChEMBL 13-Jul-2018
  • KNIME integration with BioAssay Express 25-Jun-2018
  • American Chemical Society meeting: Autumn 2018 Boston 18-Jun-2018

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Month: November 2017

New items on AppStore: XMDS and MedChem Toolkit

newappsIn the last couple of weeks, two new items appeared on the iTunes AppStore under the Molecular Materials Informatics account: the Medicinal Chemistry Toolkit and XMDS. Continue reading →

4 Comments 27-Nov-2017 Dr. Alex M. Clark
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