The 12th International Conference on Chemical Structures (ICCS) will take place in 2022. It will continue a well-established conference series that begun in 1973 as a workshop on Computer Representation and Manipulation of Chemical Information sponsored by the NATO Advanced Study Institute and thereafter was held under its new name every third year starting in 1987. The 2022 conference will build on the experience of the past successful editions to offer a strong scientific program which covers all aspects of cheminformatics and molecular modeling, including for example structure-activity relationships, virtual screening, modeling metabolite networks, etc. Participants discuss research as well as relevant technological and algorithm developments in handling and visualization of chemical structure data, workflows for complex cheminformatic analysis and machine learning. The conference fosters cooperation among organizations and researchers involved in the increasingly interwoven fields of cheminformatics and bioinformatics and combines in-depth technical presentations with ample opportunities for one-on-one discussions with the presenters.
The 12th edition will be held, one year out of phase with the intended triennial frequency, from 12-16 June 2022 at the beautiful Conference Center in Noordwijkerhout, The Netherlands.
The conference is jointly supported by:
Comparison and Analysis of Molecular Patterns on the Example of SMARTSSchmidt, Robert Anisotropic Atom Reactivity Descriptors for the Prediction of Liver Metabolism, Ames Toxicity and Hydrogen BondingGöller, Andreas Hans Exploring 3D Molecular Shape Using Spectral Read more…
Strategies for Assembling an Annotated Library for Phenotypic ScreeningWillems, Henriette Targeting of the Disease Related Proteome by Small Moleculesvon Korff, Modest Gearing Transcriptomics Towards High-Throughput Screening: Compound Shortlisting from Gene Expression Using in silico InformationAniceto, Read more…
Hit Dexter 2.0: Machine Learning for Triaging Hits from Biochemical AssaysKirchmair, Johannes Recent Advances in Chemical and Biological Search Systems: Evolution vs. RevolutionSayle, Roger Advancing Automated Synthesis Via Reaction Data Mining and ReuseNicolaou, Christos Revealing Read more…
Selectivity Determining Features in Proteins with Conserved Binding Sites – A Case Study Using N-myristoyltransferase as Model SystemBrenk, Ruth Active Search for Computer-Aided Drug DesignOatley, Steven Andrew Conformational sampling of macrocycles in both the solid- Read more…
Prof. GJP van Westen
Room EM4.22
Einsteinweg 55
2333CC
Leiden
The Netherlands