11th International Conference on Chemical Structures (ICCS 2018)

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The event covers all aspects of cheminformatics and molecular modeling, including, for example, structure-activity relationships, virtual screening, modeling metabolite networks, etc. Participants discuss research as well as relevant technological and algorithm developments in handling and visualization of chemical structure data, workflows for complex cheminformatic analysis and machine learning. The conference fosters cooperation among organizations and researchers involved in the increasingly interwoven fields of cheminformatics and bioinformatics.


  • Cheminformatics Methods
  • Structure-Activity and Structure-Property Prediction
  • Structure-Based Drug Design and Virtual Screening
  • Analysis of Large Chemical Data Sets
  • Integration of Chemical Information
  • Dealing with Biological Complexity

Scientific Advisory Board

  • Andreas Bender, University of Cambridge, UK
  • Peter Ertl, Novartis, CH
  • Kimito Funatsu, University of Tokyo, JP
  • Val Gillet, University of Sheffield, UK
  • Chris de Graaf, Free University of Amsterdam, NL
  • Rajarshi Guha, National Institutes of Health, US
  • Esther Kellenberger, University of Strasbourg, FR
  • Michael Lajiness, Eli Lilly and Company, US
  • Frank Oellien, AbbVie, DE
  • John Overington, Catapult Medicines Discovery, UK
  • Matthias Rarey, University of Hamburg, DE
  • Lars Ridder, Netherlands eScience Center, NL
  • Christoph Steinbeck, University of Jena, DE
  • Herman van Vlijmen, Janssen Pharmaceutica NV, BE
  • Andrea Volkamer, Charité – Universitätsmedizin Berlin, DE
  • Markus Wagener, Grünenthal, DE
  • Pat Walters, Relay Therapeutics, US
  • Gerard van Westen, University of Leiden, NL
  • Antony Williams, EPA, US
  • Egon Willighagen, University of Maastricht, NL


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