{ "version": "https://jsonfeed.org/version/1.1", "title": "chem-bla-ics", "description": "Chemblaics (pronounced chem-bla-ics) is the science that uses open science and computers to solve problems in chemistry, biochemistry and related fields.", "home_page_url": "https://chem-bla-ics.linkedchemistry.info/", "feed_url": "https://chem-bla-ics.linkedchemistry.info/2025/06/08/iccs2025-1-back-in-noordwijkerhout.json", "icon": "https://chem-bla-ics.linkedchemistry.info/assets/images/chem-bla-ics_logo.png", "language": "en", "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286", "_orcid": "0000-0001-7542-0286" } ], "items": [ { "id": "https://doi.org/10.59350/j6ea0-ycg53", "url": "https://chem-bla-ics.linkedchemistry.info/2025/06/08/iccs2025-1-back-in-noordwijkerhout.html", "title": "ICCS2025: back in Noordwijkerhout", "content_html": "

This week the 13th International Conference on Chemical Structures took place\n(see also this Scholia overview or\nthis overview of the full ICCS history). This\nis the conference I first joined 20 years ago\nas a PhD student presenting a poster\n(see these past blog posts).\nOf course, I am actually co-organizer nowadays (actually, co-treasurer). Organizing a meeting with just over\n200 participants, and I like to thank\nGerard and Willem\nin particular, but also Pieter,\nMarcus, Frank,\nJenke, and Frans Koeman who has helped us during the\npast three events.

\n\n

The meeting started, as usual, wth the CSA Trust Mike Lynch Award,\nthis year awarded to Prof. Val Gillet\n(see also this press release).

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This time, there where the following themes,\nwhere the first was by far the most dominant theme:

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My contribution this time was a poster for the VHP4Safety project,\nbut more about that later.

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Like last time, I have been annotating speakers with identifier and accounts, if they provided those:

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As you can see, it also includes PDFs, for both talks and\nposters. At the time of writing,\nI collected PDFs of two presentations and five posters. Additions are still most welcome,\nideally with DOI, so that they can be cited (doi:10.5281/zenodo.15494630,\ndoi:10.13140/RG.2.2.27441.90720\ndoi:10.5281/zenodo.15614295, and\ndoi:10.13140/RG.2.2.36774.23365)!

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Finally, I like to remind everyone that there is again a\nproceedings collection in the Journal of Cheminformatics,\nand presenters of oral and poster presentations are invited to submit their presented\nwork to this collection.

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References

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Bänsch, F., Steinbeck, C., Zielesny, A., & Schaub, J. (2025). The Molecule Fragmentation Framework (MORTAR): a rich client application for algorithmic substructure extraction. Unpublished. https://doi.org/10.13140/RG.2.2.27441.90720 CrossRef Scholia
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Dehaen, W. (2025). LACAN: Leveraging adjacent co-occurrence of atomic neighborhoods. Zenodo. https://doi.org/10.5281/ZENODO.15614295 CrossRef Scholia
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Kullik, H., Urban, M., Schaub, J., Loidl-Stahlhofen, A., & Zielesny, A. (2025). PySSA: end-user protein structure prediction and visual analysis with ColabFold and PyMOL. Unpublished. https://doi.org/10.13140/RG.2.2.36774.23365 CrossRef Scholia
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Nollen, L.-M., Meijer, D., Sorokina, M., & van der Hooft, J. (2025). ICCS 2025 Poster - Biosynfoni. Zenodo. https://doi.org/10.5281/ZENODO.15494630 CrossRef Scholia
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", "summary": "This week the 13th International Conference on Chemical Structures took place (see also this Scholia overview or this overview of the full ICCS history). This is the conference I first joined 20 years ago as a PhD student presenting a poster (see these past blog posts). Of course, I am actually co-organizer nowadays (actually, co-treasurer). Organizing a meeting with just over 200 participants, and I like to thank Gerard and Willem in particular, but also Pieter, Marcus, Frank, Jenke, and Frans Koeman who has helped us during the past three events.", "image": "https://chem-bla-ics.linkedchemistry.info/assets/images/iccs_annotated_schedule.png", "date_published": "2025-06-08T00:00:00+00:00", "date_modified": "2025-06-08T00:00:00+00:00", "tags": ["iccs"], "_references": [ { "url": "https://doi.org/10.5281/zenodo.15494630", "doi": "10.5281/zenodo.15494630" } , { "url": "https://doi.org/10.13140/RG.2.2.27441.90720", "doi": "10.13140/RG.2.2.27441.90720" } , { "url": "https://doi.org/10.5281/zenodo.15614295", "doi": "10.5281/zenodo.15614295" } , { "url": "https://doi.org/10.13140/RG.2.2.36774.23365", "doi": "10.13140/RG.2.2.36774.23365" } ], "_funding": [{"award": { "title" : "The Virtual Human Platform for Safety Assessment", "acronym" : "VHP4Safety", "uri" : "drc.filenumber:nwa129219272" }, "funder": { "name": "Dutch Research Council", "ror": "04jsz6e67" } }], "authors": [ { "name": "Egon Willighagen", "url": "https://orcid.org/0000-0001-7542-0286" } ] } ] }