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ICCS @intconfchemstr.social.edu.nl.ap.brid.gy · 26/09/2026

the 4th paper of the #iccs2025 collection was published this summer: "Transformers for molecular property prediction: domain adaptation efficiently improves performance" doi.org/10.1186/s13321-026-01252-z #deepLearning #transformer #chembl #qspr […] [Original post on social.edu.nl]

Figure 1: Data summary and distributions of the seven investigated ADME endpoints. The boxplots are shown per histogram to highlight the location of the different quartiles and datapoints that would be seen as outliers. The plots with two distributions show the presence of censored labels which are not suitable for being used directly in a regression model. Therefore, the two distributions show the original data (blue) and the actual data (orange) used during evaluation

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ICCS @intconfchemstr.social.edu.nl.ap.brid.gy · 20/05/2026

the third paper in the #iccs2025 collection is out: doi.org/10.1186/s13321-026-01203-8 "GRIPHIN: grids of pharmacophore interaction fields for affinity prediction" "We investigate whether a purely pharmacophoric representation of the protein pocket is […] [Original post on social.edu.nl]

Figure 1 from the article. It shows a scheme of the methodology, with three protein structures with various aspects highlighted.

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ICCS @intconfchemstr.social.edu.nl.ap.brid.gy · 21/06/2025

fediwalls are a thing! just 3 weeks too late for #ICCS2025

A fediwall for #ICCS2025, two other tags, and this account. It shows posts with those tags, e.g. from @dalke@toots.nu and @egonw@social.edu.nl

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ICCS @intconfchemstr.social.edu.nl.ap.brid.gy · 05/06/2025

the next International Conference on Chemical Structures, edition 14, will be held in the week of June 11-15 2028! #ICCS2025 #ICCS2028

Photo of Gerard van Westen on stage and the "Save the Date!" slide announcing ICCS 2028, from June 11th to June 15th and the hashtag for that meeting: #ICCS2028

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ICCS @intconfchemstr.social.edu.nl.ap.brid.gy · 05/05/2025

three years ago, we collected ORCID, GitHub, and Twitter handles, and links to slidedecks. We intend to do that again, and again, when presenters agree, include these in the online scientific programme. Mastodon and/or Bluesky will replace Twitter oh, and it's […] [Original post on social.edu.nl]

Screenshot of the 2022 website (https://web.archive.org/web/20230307003711/https://iccs-nl.org/general-information/scientific-program/) showing five oral presentations on Sunday evening, and Monday morning June 13, 2022. Several speakers have their ORCID lists, and one also their Twitter account.

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ICCS @intconfchemstr.social.edu.nl.ap.brid.gy · 15/02/2025

We are very happy to confirm sponship of the ICCS by: - Chemical Computing Group (Premier sponsor) - Chemaxon (Platinum sponsor) - Cresset (Silver sponsor) Thank you very much for the support of our great conference! We are currently talking to other […] [Original post on social.edu.nl]

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ICCS @intconfchemstr.social.edu.nl.ap.brid.gy · 08/02/2025

Steve Heller on our history: "From 1980-1992 I was a member of the organising committee for the International Conference on Computers in Chemical Research and Education (ICCCRE) conferences and chaired the 1982 conference. From the first meeting in 1973 to the […] [Original post on social.edu.nl]

Photo taken at the 1973 meeting in Noordwijkerhout, named differently at the time, but that continued with the International Conference on Chemical Structures (ICCS).

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ICCS @intconfchemstr.social.edu.nl.ap.brid.gy · 06/02/2025

we now have an infographics for the JCheminform. Collection for accepted abstracts. Abstract submission: iccs-nl.org Collection info: www.biomedcentral.com/collections/I… #cheminformatics #chemistry #ai #openscience #chemsky

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ICCS @intconfchemstr.social.edu.nl.ap.brid.gy · 22/01/2025

Hi everyone, the abstract submission deadline (14 February 2025) is nearing. We are very much looking forward to your submissions for oral presentations and posters. #chemistry #cheminformatics #chemsky

Screenshot of a slide with a Call for Papers for the 13th ICCS, June 1-5 2025. It shows 5 main topics (1. Advanced #cheminformatics techniques, 2. Artificial intelligence, machine learning, and QSAR, 3. Integrative Structure-Based Drug Design, 4. New modalities and Large Chemical Data Sets, 5. Open Science, Omics, Natural Products, and a sixth "other" category for superb #cheminformatics research not in the other categories), each with subcategories. They are also found under "Scientific Topics" on the https://iccs-nl.org/ front page

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ICCS @intconfchemstr.social.edu.nl.ap.brid.gy · 13/11/2024

our LinkedIn group (www.linkedin.com/groups/13021070) reached 100 members this week. Everyone is getting ready to submit their abstracts to the 13th International Conference on Chemical Structures :) Want something to read? Check the past […] [Original post on social.edu.nl]

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