20 December 2021
C A L L F O R P A P E R S
12th International Conference on Chemical Structures
NH Leeuwenhorst Conference Hotel, Noordwijkerhout, The Netherlands
12-16 June 2022
Visit the conference website at https://www.iccs-nl.org for more information.
The 12th International Conference on Chemical Structures (ICCS) will be
organized in June 2022. Due to the COVID19 pandemic this conference was delayed by one year. Building on past successes of the conference series, the 2022 event will offer a strong scientific program covering all aspects of cheminformatics and molecular modeling. 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.
For this event the ICCS is seeking presentations of novel research and
emerging technologies for the following plenary sessions:
o Molecular similarity and diversity
o Mining of chemical literature and patents
o Spectroscopy and structure elucidation
o Reaction handling
Structure-Activity and Structure-Property Prediction
o Consensus and federated methods
o Assessment of uncertainties in predictive modeling
o Graphical methods for SAR analysis
o Multi- and Many-objective optimization
o Advances in molecular dynamics and free energy calculation
o Structure-based and rational drug design
o Modeling of protein-ligand and protein-protein recognition
o Computer-assisted protein design/engineering
Artificial Intelligence Approaches
o Deep learning and sparse-data modelling
o de novo generation
o Representation learning
o Synthetic accessibility and retrosynthesis approaches
Analysis of Large Chemical Data Sets
o Design, profiling, and comparison of compound collections
o DNA Encoded Libraries (DEL)
o Advances in (low-, mid- and high-level) data fusion techniques
o Findable, Accessible, Interoperable, and Reusable (FAIR) data
Dealing with Biological Complexity
o Analysis and prediction of poly-pharmacology and selectivity
o Advances in metabolomics
o Nanoinformatics modelling
o Natural product drug discovery
We also welcome contributions in other aspects of the computer handling of chemical structure information, such as: automatic structure elucidation, combinatorial chemistry and diversity analysis, electronic publishing, MM or QM/MM simulations, modeling of ADME properties, material sciences, analysis and prediction of crystal structures, grid and cloud computing in
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.
Visit the conference website at https://www.iccs-nl.org for more information, including details on procedures for online abstract submission and conference registration.
The deadline for the submission of abstracts is the 28th of February 2022.
We hope to see you in Noordwijkerhout!
On behalf of the organizing committee,
Gerard van Westen
31 May 2021
New website launched!
21 September 2020
Due to the corona pandemic the 12th ICCS will be delayed one year. Please save the date! June 12th – June 16th 2022
31 May 2018
Save the date! The 12. International Conference on Chemical Structures will be in June 6 – 10, 2021.
31 May 2018
Thanks to all participants! We hope you enjoyed the conference.
26 May 2018
We’re all set for a great conference. Have a safe trip and see you in Noordwijkerhout!
19 May 2018
|The Book of Abstracts is now available as PDF.|
17 May 2018
The Exhibition Newsletter is now online.
4 May 2018
The list of posters is now online.
16 April 2018
The Scientific Program is now online.
13 April 2018
9 April 2018
Priority registration completed. Regular participants can register now again for the remaining seats of the conference.
27 March 2018
Because of the tremendous number of registrations during the last days we temporarily have to restrict the registration to accepted speakers and poster presenters only. The registration for regular participants will be opened again in a few days. Thank you for your understanding.
26 March 2018
Approval status of all submitted contributions has been sent to the authors. All presenters who have not yet registered, should do this immediately!
28 February 2018
The pre/post-conference workshop program has been finalized.
29 January 2018
The deadline for the submission of abstracts has been extended until 15 February 2018.
25 January 2018
Online registration is now open.
19 January 2018
15 January 2018
Schrödinger and Xemistry will organize two post-conference workshops on Thursday (31th May 2018).
8 January 2018
Chemical Computing Group and OpenEye will organize two pre-conference workshops on Sunday (27th May 2018).
2 January 2018
The second Call for Papers has been issued.
21 December 2017
The abstract submission page is available
1 December 2017
The first Call for Papers has been issued.
1 November 2017
Scientific Advisory Board completed.
10 July 2017
Official release of the new ICCS2018 web site.
June 27, 2015
A virtual special issue of the Journal of Chemical Information and Modelling has appeared with selected papers from the 10th ICCS/GCC.
July 12, 2014
Selected presentations and posters have been made available online.