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 time that we start using the #ICCS2025 hashtag :)
Woo-hoo! My #ICCS2025 poster was accepted. I'm going to Noordwijkerhout in a few months.
Like the last couple of times, I'll be going there by train.
Anyone on the route (Trollhättan→Copenhagen→Hamburg→Noordwijkerhout and vice versa) want me to visit? I can talk about SMILES, #cheminformatics history, and fingerprint similarity for hours. :)
Or perhaps interested in licensing chemfp?
For that matter, I've also available to modernize old in-house cheminformatics code.
Just submitted my poster propsal for #ICCS2025 - "Prefix-based decision tree for faster generation of SMARTS-based fingerprints."
Take your SMARTS, order so if X is a prefix of Y then X goes first. That gives a decision tree to prune the number of tests. Next, identify common prefixes, re-root SMARTS for better screening, and add an atom type screen.
Old school #cheminformatics!
BTW, @intconfchemstr? I had to break the "Text style: calibri" rule as that font isn't legally available to me.
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 screening, modeling metabolite networks, etc. https://iccs-nl.org/
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) but I am eager to do better.
What would convince you to submit your ICCS paper to this collection?
Mark your agenda :) https://iccs-nl.org/ #iccs2025 #chemistry #cheminformatics
