RE: https://mathstodon.xyz/@rg9119/115630316407660672 a bit of history of our field

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

six #iccs2025 posters can now be download from our website at https://iccs-nl.org/posters/

fediwalls are a thing! just 3 weeks too late for #iccs2025

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

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/

the next International Conference on Chemical Structures, edition 14, will be held in the week of June 11-15 2028! #iccs2025 #iccs2028

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

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 […]

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

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

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.

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"

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

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

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

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

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

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

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 […]

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 […]

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 […]

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/

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 […]

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]

we highly recommend everyone with an accepted abstract (oral and poster) to register today, if you have not done so already, because tomorrow the general registration opens again

We are very happy to inform you that we were able to extend the amount of posters to 92 (was 80). The next group of qualifying posters in the 'on hold' group will be approached ASAP (likely today). We remind submitters of an accepted contribution that they can exclusively register until May 2nd […]

We are happy to inform you that we have drafted the preliminary program for the 13th ICCS. We were overwhelmed by the number and quality of the abstracts! We are happy to inform you that we could increase the max participants by 20 after discussing with the hotel! 1/

Due to an high number of registrations and limited places, the ICCS registration has been paused in order to allow all contributors of an abstract a spot should it be accepted. On Thursday April 24th we would like to inform the delegates about the acceptance status of their abstract and will […]

Due to an high number of registrations and limited places, the ICCS registration has been paused in order to allow all contributors of an abstract a spot should it be accepted. On Thursday April 24th we would like to inform the delegates about the acceptance status of their abstract and will […]

We are very happy to inform you all that we received > 160 abstracts for the upcoming ICCS! From the submissions the program committee and the scientific advisory board will select around 30 papers for the plenary sessions. All submissions that cannot be included in the plenary sessions will be […]

hi all, we know how busy everyone is. And while it is **really important** for the organization, books, etc, to get your abstract in, upon request, we have extended the abstract submission deadline to 28 February. https://iccs-nl.org/ So, please reply here and let us know what abstract you are […]

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]

hi all, we know how busy everyone is. And while it is **really important** for the organization, books, etc, to get your abstract in, upon request, we have extended the abstract submission deadline to 28 February. https://iccs-nl.org/ So, please reply here and let us know what abstract you are […]

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]

we now have an infographics for the JCheminform. Collection for accepted abstracts. Abstract submission: https://iccs-nl.org/ Collection info: https://www.biomedcentral.com/collections/ICCS25 #cheminformatics #chemistry #ai #openscience #chemsky

hi #chemsky, the abstract submission deadline is in 10 days! Join our International Conference on Chemical Structures, a conference both historic and cutting edge, covering all aspects of cheminformatics and molecular modeling, including for example structure-activity relationships, virtual […]

the abstract deadlines is two weeks away (for both orals and posters): https://social.edu.nl/@intconfchemstr/113871380288328159 Accepted abstracts presented at the ICCS in June will get invited for submitting the work to a special collection in the Journal of Cheminformatics. The collection […]

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

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

The International Conference on Chemical Structures (https://iccs-nl.org/ and @intconfchemstr) will have a proceedings collection again. I am currently working on the material to get this out. The previous collection only had 3 submissions (see https://link.springer.com/collections/djijghdagg) […]

our LinkedIn group (https://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]