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intconfchemstr.social.edu.nl.ap.brid.gy
ICCS
@intconfchemstr.social.edu.nl.ap.brid.gy
This is the official account of the International Conference on Chemical Structures, traditionally held in Noordwijkerhout in The Netherlands.

[bridged from https://social.edu.nl/@intconfchemstr on the fediverse by https://fed.brid.gy/ ]
RE: https://mathstodon.xyz/@rg9119/115630316407660672

a bit of history of our field
mathstodon.xyz
November 29, 2025 at 10:19 AM
The submission deadline for the ICCS Collection in the Journal of Cheminformatics will be extended to March 1. We currently have four papers under review and expect at 2 more submissions.

https://link.springer.com/collections/jcfcedbfda

#cheminformatics #iccs2025
Research from the 13th International Conference on Chemical Structures
The 13th International Conference on Chemical Structures (ICCS 2025) will take place on June 1-5, 2025, in Noordwijkerhout, The Netherlands, where it has been ...
link.springer.com
November 29, 2025 at 9:09 AM
six #iccs2025 posters can now be download from our website at https://iccs-nl.org/posters/
Posters – ICCS
iccs-nl.org
August 2, 2025 at 1:25 PM
fediwalls are a thing! just 3 weeks too late for #iccs2025
June 21, 2025 at 8:34 AM
Reposted by ICCS
I wanted to blog more, but there was too busy during the day. So, I have so far only this: https://chem-bla-ics.linkedchemistry.info/2025/06/08/iccs2025-1-back-in-noordwijkerhout.html

#iccs2025
ICCS2025: back in Noordwijkerhout
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. The meeting started, as usual, wth the CSA Trust Mike Lynch Award, this year awarded to Prof. Val Gillet (see also this press release). This time, there where the following themes, where the first was by far the most dominant theme: * Artificial Intelligence, Machine Learning, and QSAR (five sessions) * New Modalities and Large Chemical Data Sets (one session) * Advanced Cheminformatics Techniques (two sessions) * Integrative Structure-Based Drug Design (two sessions) My contribution this time was a poster for the VHP4Safety project, but more about that later. Like last time, I have been annotating speakers with identifier and accounts, if they provided those: As you can see, it also includes PDFs, for both talks and posters. At the time of writing, I collected PDFs of two presentations and five posters. Additions are still most welcome, ideally with DOI, so that they can be cited (doi:10.5281/zenodo.15494630, doi:10.13140/RG.2.2.27441.90720 doi:10.5281/zenodo.15614295, and doi:10.13140/RG.2.2.36774.23365)! Finally, I like to remind everyone that there is again a proceedings collection in the Journal of Cheminformatics, and presenters of oral and poster presentations are invited to submit their presented work to this collection.
github.com
June 8, 2025 at 2:45 PM
if you missed the #iccs2025, you can catch up with the slidedeck and poster PDFs that presenters have made available online, and counting:

- 1 presentation: https://iccs-nl.org/general-information/scientific-program/
- 4 posters: https://iccs-nl.org/posters/
Scientific program – ICCS
iccs-nl.org
June 6, 2025 at 5:28 PM
the next International Conference on Chemical Structures, edition 14, will be held in the week of June 11-15 2028!

#iccs2025 #iccs2028
June 5, 2025 at 3:43 PM
the last session has just started. First presentation is by Henriette Willems (https://orcid.org/0000-0001-7196-5975) from the University of Cambridge, with her talk "How useful are protein folding tools for drug design?"

#iccs2025
ORCID
orcid.org
June 5, 2025 at 9:07 AM
yesterday, after the coffee break, we had four talks. The session was kicked of by John Wilkinson Mayfield (https://orcid.org/0000-0001-7730-2646) of NextMove Software showing even faster substructure search on billion-sized compound sets in "Honey, I shrunk the database: Making multi-billion […]
Original post on social.edu.nl
social.edu.nl
June 5, 2025 at 7:42 AM
Yesterday, the first session had three talks, starting with Afnan Sultan (https://orcid.org/0009-0000-6126-7153) from Saarland University with the talk: "Transformers for molecular property prediction: Domain adaptation efficiently improves performance"

#iccs2025
ORCID
orcid.org
June 5, 2025 at 7:20 AM
Thursday morning is the last stretch of the meeting. First speaker is Antoine Michel Lauder Lacour (https://orcid.org/0000-0002-0051-8710) from Saarland University. The title of his talk is "DockM8: All-in-One Open-Source Platform for Consensus Virtual Drug Screening"

#iccs2025
ORCID
orcid.org
June 5, 2025 at 6:40 AM
yesterday, we did not manager to put up the presenter names and talk titles, but we'll do so shortly. and in the afternoon, we had out social event, so you did not miss many.
June 5, 2025 at 6:37 AM
where the sessions on Monday and yesterday morning were about "Artificial Intelligence, Machine Learning, and QSAR", yesterday afternoon was about "New Modalities and Large Chemical Data Sets"

Today's two sessions are about the third #iccs2025 theme: "Advanced Cheminformatics Techniques"
June 4, 2025 at 4:42 AM
the final talk today is by Torben Gutermuth (https://orcid.org/0000-0002-9304-8251) of University of Hamburg, with the talk: "StrAcTable – Combining Structural and Bioactivity Data with Atomic Precision for Protein-Ligand Complex Datasets"

#iccs2025
ORCID
orcid.org
June 3, 2025 at 12:33 PM
third session today starts with a presentation by Olga Tarkhanova (https://orcid.org/0000-0003-1880-2872) from Chemspace LLC: "A Workflow Pairing Rational and Computational PROTACs Design Yields a Novel BRD4 Degrader"

#iccs2025
ORCID
orcid.org
June 3, 2025 at 11:08 AM
the second session now starts with the talk "Discovery of Novel CYP19A1 Inhibitors Using Machine Learning-Driven Virtual Screening and Structure-Based Approaches", by Sijie Liu (https://orcid.org/0000-0001-8834-3881) from the Freie Universität Berlin

#iccs2025
ORCID
orcid.org
June 3, 2025 at 8:41 AM
The first session this morning is opened by the talk "Exploration of Synthesis Space by Application of Evolutionary Strategies" by Emma Sarah Armstrong from the University of Sheffield

#iccs2025
June 3, 2025 at 8:38 AM
The third Monday session just started with Linde Schoenmaker (Leiden University, https://orcid.org/0000-0001-9879-1004) about "Towards experiment-aware bioactivity model(er)s"

#iccs2025
ORCID
orcid.org
June 2, 2025 at 11:04 AM
we're back from the coffee break, with Terence Egbelo (University of Sheffield) now speaking about "Improving Target-Adverse Event Association Prediction by Mitigating Topological Imbalance in Knowledge Graphs"

#iccs2025
June 2, 2025 at 8:37 AM
good morning #iccs2025 !

we have kicked off the first session of today's program with a presentation by Carmen Gratteri, https://orcid.org/0009-0007-3527-2080

The title of her talk is "GENEOnet: Revolutionizing Drug Discovery with the Most Accurate Protein Binding Pocket Detection Using […]
Original post on social.edu.nl
social.edu.nl
June 2, 2025 at 6:59 AM
this afternoon our International Conference on Chemical Structures starts. For the 13th time under this name. We will welcome 200 registered participants in #noordwijkerhout

To those who have already arrived (a few), welcome! To those travelling today, safe travel and see you soon!

Follow […]
Original post on social.edu.nl
social.edu.nl
June 1, 2025 at 6:52 AM
based on the @ORCID_Org information provided participants and the online schedules (https://iccs-nl.org/general-information/scientific-program/ and https://iccs-nl.org/posters/), and notable works in @wikidata I have created this @wdscholia page for our meeting starting next week […]
Original post on social.edu.nl
social.edu.nl
May 25, 2025 at 5:24 AM
we are very happy to relay that the CSA Trust has decided to award the Mike Lynch award to Prof. Val Gillet who will be giving a keynote lecture at our #iccs2025 opening session https://csa-trust.org/2025/05/23/mike-lynch-award-2025-val-gillet/
Mike Lynch Award 2025: Val Gillet
In recognition of her pioneering research in chemical structure analysis, visionary educational leadership, and enduring dedication to advancing scientific collaboration, Professor Val Gillet has been awarded the 2025 Mike Lynch Award by the Trustees of the CSA Trust. The Trustees are proud to honor Professor Gillet for her outstanding and innovative contributions to the field of Chemoinformatics. Her influential body of work – widely cited and highly regarded – has shaped the Chemoinformatics landscape and driven progress in pharmaceutical research and development. In parallel with her research achievements, Professor Gillet has played a central role in building and refining the Chemoinformatics educational program at the University of Sheffield. Under her supervision, the program has earned international recognition as a hub of excellence for research and training. She is also co-author of a foundational textbook that remains a key reference in the field. Beyond her academic accomplishments, Professor Gillet has been instrumental in fostering collaboration and visibility within Chemoinformatics. Her longstanding support of the Cheminformatics Conference in Sheffield and the International Conference on Chemical Structures in Noordwijkerhout has helped elevate them to the field’s most prominent international gatherings. Val Gillet is a Professor of Chemoinformatics at the University of Sheffield, where she leads the Chemoinformatics Research Group within School of Information, Journalism and Communication. https://www.linkedin.com/in/val-gillet-15a60429/ https://www.sheffield.ac.uk/ijc/people/val-gillet The CSA Trust is an internationally recognized, registered charity that promotes education, research, and development in fields related to chemical structures and cheminformatics. ### Share this: * Click to share on X (Opens in new window) X * Click to share on Facebook (Opens in new window) Facebook * Like Loading... ### _Related_
csa-trust.org
May 23, 2025 at 5:55 PM
Hi everyone, we have completed the draft schedules for the oral presentations and the poster sessions. Please find the full program at https://iccs-nl.org/general-information/scientific-program/. You can also find linked the descriptions of the two pre-conference workshops on Sunday. See you in […]
Original post on social.edu.nl
social.edu.nl
May 12, 2025 at 3:11 PM
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]
May 5, 2025 at 9:06 AM