11th International Conference on Chemical Structures

May 27-31 2018, Noordwijkerhout
The Netherlands

Call for Papers

The 11th International Conference on Chemical Structures (ICCS 2018) will be hold on May 27-31, 2018 . Building on past successes of this well-known conference series the 2018 event will offer a strong scientific program covering all aspects of cheminformatics, molecular modeling and computer-aided drug design. For this international event the organizers are seeking presentations of novel research and emerging technologies for the following plenary sessions:


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

Structure-Activity and Structure-Property Prediction

  • industrialized and large-scale model building
  • multi-objective optimization and multi-property prediction
  • assessment of uncertainties in predictive modeling
  • graphical methods for SAR analysis

Structure-Based Drug Design and Virtual Screening

  • improved understanding of protein-ligand interactions
  • modeling of protein-protein interactions (PPIs)
  • modeling of challenging targets
  • advances in antibody modeling

Analysis of Large Chemistry Spaces

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

Integration of Chemical Information with other Resources

  • advances in chemogenomics
  • integration of medical and biological information with chemical information
  • semantic technologies as a driving force of integration
  • chemical information using mobile technologies and social media

Dealing with Biological Complexity

  • analysis and prediction of poly-pharmacology
  • analysis of high-content screening data
  • pathways and biological networks
  • druggability of targets

We also welcome contributions in any aspect of the computer handling of chemical structure information, such as: automatic structure elucidation, computer-aided synthesis planning, combinatorial chemistry and 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 cheminformatics.

We encourage the submission of papers both on method and algorithm development as well as applications and case studies especially those demonstrating the predictive power of methods by experimental validation.

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 be automatically considered for the poster sessions.

Before and after the official conference program free workshops will be offered.

Supporting Societies

  • Division of Chemical Information of the American Chemical Society (ACS)
  • 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)

The deadline for the submission of abstracts is 15 February 2014.

We hope to see you in Noordwijkerhout.

The Organization Committee