9th International Conference on Chemical Structures

June 5-9 2011, Noordwijkerhout
The Netherlands

Call for Papers

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.

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.

Scientific Program

The 9th International Conference on Chemical Structures (ICCS) is seeking presentations of novel research and emerging technologies for the following plenary sessions:


  • advances in structure representation
  • reaction handling and electronic lab notebooks (ELNs)
  • molecular similarity and diversity
  • chemical information visualization

Structure-Activity and Structure-Property Prediction

  • graphical methods for SAR analysis
  • industrialized and large-scale model building
  • multi-property prediction and multi-objective optimization

Structure-Based Drug Design and Virtual Screening

  • new docking and scoring approaches
  • improved understanding of protein-ligand interactions
  • pharmacophore definition and search
  • modeling of challenging targets

Analysis of Large Chemistry Spaces

  • mining of chemical literature and patents
  • design, profiling and comparison of compound collections and screening sets
  • machine learning and knowledge extraction from databases

Integrated Chemical Information

  • advances in chemogenomics
  • integration of medical and biological information
  • semantic technologies as a driver of integration
  • translational informatics

Dealing with Biological Complexity

  • analysis and prediction of poly-pharmacology
  • in-silico analysis of toxicology, drug safety, and adverse events
  • pathways and biological networks
  • druggability of targets

Before and after the official conference program free workshops will be offered by BioSolveIT (www.biosolveit.de), The Chemical Computing Group (www.chemcomp.com), Tripos (www.tripos.com), and Accelrys (www.accelrys.com)

Joint Organizers

  • Division of Chemical Information of the American Chemical Society (CINF)
  • Chemical Structure Association Trust (CSA Trust)
  • Division of Chemical Information and Computer Science of the Chemical Society of Japan (CSJ)
  • Chemistry-Information-Computer Division of the German Chemical Society (GDCh)
  • Royal Netherlands Chemical Society (KNCV)
  • Chemical Information and Computer Applications Group of the Royal Society of Chemistry (RSC)
  • Swiss Chemical Society (SCS)

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.

From the submissions the program committee and the scientific advisory board will select about 30 papers for the plenary sessions. All submissions that cannot be included in the plenary sessions will automatically be considered for the poster session.

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

  • automatic structure elucidation
  • combinatorial chemistry, diversity analysis
  • web technology and its effect on chemical information
  • electronic publishing
  • MM or QM/MM simulations
  • practical free energy calculations
  • modeling of ADME properties
  • material sciences
  • analysis and prediction of crystal structures
  • grid and cloud computing in cheminformatic

The deadline for the submission of abstracts is 31 January 2011.