From owner-chemistry@ccl.net Sat Feb 5 13:06:00 2022 From: "Wendy A. Warr wendy]~[warr.com" To: CCL Subject: CCL: ICCS 2022 Noordwijkerhout Meeting Message-Id: <-54595-220205130431-510-wzHwJ910l/xuGMiz83G3GA%server.ccl.net> X-Original-From: "Wendy A. Warr" Date: Sat, 5 Feb 2022 13:04:29 -0500 Sent to CCL by: "Wendy A. Warr" [wendy,+,warr.com] Posted by Wendy Warr on behalf of the organizers of ICCS. > From: Gerard JP van Westen Sent: 04 February 2022 14:09 To: Westen, G.J.P. van ; Jespers, W. Subject: 2022 ICCS - Noordwijkerhout (June 12 - 16) Dear former ICCS participant, It's unbelievable it has been 4 years since the last Noordwijkerhout conference (ICCS). Because of the pandemic situation we decided last year to move the event from 2021 to 2022. And this year one of the most known and oldest international events on Computational Molecular Design is back. The 12th International Conference on Chemical Structures will be organized > from June 12-16, 2022 in Noordwijkerhout, The Netherlands. We hope that we will see you all back at our conference. Visit the conference website at https://www.iccs-nl.org for more information. Please find below our call for papers (which includes details on where to submit an abstract). The deadline for the submission of abstracts is the 28th of February 2022. On behalf of the organizing committee, Gerard van Westen and Willem Jespers ----------------------------------- 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. Registration and abstract submission are open and available here: https://www.conftool.net/iccs2022/index.php?page=login We ask for abstracts formatted according this template : https://iccs- nl.org/wp-content/uploads/2022/02/ICCS_2022_template_document.doc 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: Cheminformatics Approaches 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 Structure-Based Approaches 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, QM/MM simulations, modeling of ADME properties, material sciences, analysis and prediction of crystal structures, grid and cloud computing in cheminformatics. > 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! -- Gerard JP van Westen, PhD Professor of AI & Medicinal Chemistry Computational Drug Discovery Drug Discovery and Safety LACDR Einsteinweg 55 2333CC, Leiden Phone: +31 71 527 3511