Call for Papers

The International Conference on Chemical Structures brings together an international group interested in handling chemical structures and related topics. The conference will be held at the Leeuwenhorst Congress Center, Noordwijkerhout, The Netherlands, which is a modern comprehensive center, with recreational facilities, only 2 km from the dunes and easily reached from Schiphol airport and by train from major European cities.

Scientific Program

The conference will start with a keynote address on Sunday afternoon followed by a traditional Rijsttafel dinner. Six plenary sessions and a poster session are planned during the remaining 3.5 days of the conference.

The 8th International Conference on Chemical Structures is seeking presentations of novel research and emerging technologies for the following plenary sessions:

  • Cheminformatics
    • molecular similarity and diversity
    • library analysis and profiling
    • chemical information visualization
    • representation and searching of conformationally flexible compounds
  • Structure-Activity and Structure-Property Prediction
    • data fusion, consensus modeling and multi-property optimization
    • prediction of ADME/Tox properties
    • industrialized and large-scale QSAR/QSPR model building
  • Structure-Based Drug Design and Virtual Screening
    • protein flexibility in docking
    • improved chemical models and scoring functions
    • integration of virtual and high-throughput screening
  • Analysis of Large Data Sets
    • data mining of HTS data
    • analysis of large chemistry spaces
    • machine learning
  • Informatics for Bridging Between Chemistry and Biology
    • integrative discovery informatics
    • virtual pharmacology
    • target family based approaches to drug discovery
  • Virtual Chemistry
    • structure- and ligand-based de-novo design
    • synthesis planning and design
    • mining electronic lab journals
    • reaction networks, reaction databases and reaction retrieval

We encourage the submission of papers on both applications and case studies as well as on method development and algorithmic work. The final program will be a balance of these two aspects.

Posters can be submitted for any of the above and related areas, but we welcome contributions in any aspect of the computer handling of chemical structure information, such as:

  • representation and manipulation of organic and inorganic compounds, biomacromolecules and polymers
  • new algorithms for searching and managing chemical structures and reactions
  • 3D databases and pharmacophore modeling
  • (automatic) structure elucidation
  • combinatorial chemistry, diversity analysis
  • web technology and its effect on chemical information
  • electronic publishing
  • searching/dealing with patent spaces
  • MM or QM/MM simulations
  • practical free energy calculations
  • material sciences

The conference will feature a new product review session for commercial presentations.

Download the abstract template file for instructions on formatting and uploading your abstract.

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The deadline for the submission of abstracts is 15 February 2008.