11th International Conference on Chemical Structures

May 27-31 2018, Noordwijkerhout
The Netherlands

Call for Papers

Submit Abstracts via our online form

The 11th International Conference on Chemical Structures (ICCS 2018) will be held 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 oral and poster presentations of novel research and emerging technologies for the following plenary sessions:

Cheminformatics Methods

  • Molecular similarity and diversity
  • Chemical information visualization
  • Spectroscopy and structure elucidation
  • Reaction handling

Structure-Activity and Structure-Property Prediction

  • Large-scale model building
  • Assessment of uncertainties in predictive modeling
  • Graphical methods for SAR analysis
  • Multi-objective optimization

Structure-Based Drug Design and Virtual Screening

  • Modeling of protein-ligand and protein-protein recognition
  • Developments in antibody modeling
  • Advances in molecular dynamics and free energy calculation
  • De novo design

Analysis of Large Chemical Data Sets

  • Design, profiling, and comparison of compound collections
  • Deep learning and pattern recognition
  • Mining of chemical literature and patents
  • Handling DNA Encoded Libraries (DEL)

Integration of Chemical Information

  • Advances in chemogenomics
  • Semantic technologies
  • Mobile technologies and social media
  • Findable, Accessible, Interoperable, and Reusable (FAIR) data

Dealing with Biological Complexity

  • Analysis and prediction of poly-pharmacology
  • Advances in metabolomics
  • Nano- and material informatics modelling
  • Druggability of targets

We also welcome contributions in other aspects of the computer handling of chemical structure information, such as: automatic structure elucidation, computer-aided synthesis planning, combinatorial chemistry and diversity analysis, covalent inhibitors, electronic publishing, MM or QM/MM simulations, modeling of ADME properties and toxicity, 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 1 February 2018.

We hope to see you in Noordwijkerhout.

The Organization Committee