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Reposted by Igor Tetko

AiChemist MSCA DN @aichemist.bsky.social · 12/02/2026

It's a wrap! The winners of the 2nd Joint EUOS/SLAS Challenge have been announced - congrats to teams "Yumiz" and "Microsomes" as well as AiChemist DC Vasilii Fastovskii! It was a pleasure to be your co-host! 👉 More details at www.eu-openscreen.eu/newsroom/eu-... #MachineLearning #AI4Science

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Igor Tetko @itetko.bsky.social · 07/02/2026

The on-line course on using ochem.eu for model development, held as part of the 9th Workshop on Advanced Computer-Aided Drug Design 2026 (kfc.upol.cz/9add), was also focused on analyses of the best methods for developing models that won the #Tox24 and overview of results of the #EUOS2025 challenge

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Igor Tetko @itetko.bsky.social · 07/02/2026

Trip to Milano was excellent! After visiting Piero Carnici @humantechnopole.bsky.social I had excellent discussions with @aichemist.bsky.social Alessandra Roncaglioni aichemist.eu/irfmn-superv... and old friends Roberto Todeschini & Davide Ballabio en.unimib.it/davide-balla... from Milano-Bicocca.

Visit of Human Technopole, https://humantechnopole.it/en/

Together with Alessandra Roncaglioni, who is the head of the Laboratory of Environmental Toxicology and Chemistry, IRFMN, Milan, Italy.

Together with Roberto Todeschini and Davide Ballabio at Università degli Studi di Milano-Bicocca https://www.unimib.it/

An aperitif with Piero Carnici (foreground, left in the photo), AiChemist project partner Silvano Coletti https://aichemist.eu/chelonia-supervisors (immediately behind him) and Zsolt Lavota (foreground, right in the photo).

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Igor Tetko @itetko.bsky.social · 02/12/2025

OpenTox Virtual Conference 2025 www.opentox.net/events/virtu... had a great selection of speakers covering different aspects of computational toxicology. It was nice to speak there with a critical analysis of the results of #Tox24 challenge: representation learning and consensus models are the best!

Igor Tetko, Barry Hardy, Ola Spjuth and Stefan Kramer. I am answering question of Ola whether human expertise is still required in the era of AI.

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Igor Tetko @itetko.bsky.social · 27/11/2025

#AutumnOnlineTrainingSchool2025 had excellent speakers www.linkedin.com/feed/update/... covering topics from Screening Platforms to AI for Drug Discovery. >230 participants were attending my lecture with overview of #Tox21 #Tox24, Kaggle Solubility & new EUOS2025 doi.org/10.1016/j.sl... Join it now!

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Reposted by Igor Tetko

Jie Xia @jwxia2014.bsky.social · 24/11/2025

Congrats to our team that got the National First-class Prize in the Simulation Innovation and Application Competition! The work was previously published in Eur. J. Pharm. Sci. (doi.org/10.1016/j.ej...) and now is officially acknowledged.👍 We appreciate the long-term support from Dr. Igor Tetko! 🌹

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Igor Tetko @itetko.bsky.social · 24/11/2025

Congratulations with excellent results! It is a nice work with interesting conclusions that we need more high quality data to model compounds with high plasma-protein binding. Model is publicly available at ochem.eu/model/1129

ochem.eu

Online Chemical Modeling Environment

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Igor Tetko @itetko.bsky.social · 06/11/2025

The visit of Dalian University of Technology, School of Environmental Science and Technology was great possibility to meet again Prof. J. Chen, learn about their new studies, summarise #Tox24 & promote #EUOS2025 challenges. Well there was one more, a culinary challenge, during the same date...

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Reposted by Igor Tetko

AiChemist MSCA DN @aichemist.bsky.social · 28/10/2025

Join the Second Joint Machine Learning Challenge to predict the optical properties of small molecules, transmittance and fluorescence, using screening data for 100k compounds Two winning teams will each receive a €1k prize during SLAS2026. Join ochem.eu/static/chall... & submit models by 15 Jan 2026

eu-openscreen.eu

EU-OPENSCREEN and SLAS Launch the Second Joint Machine Learning Challenge

EU-OPENSCREEN and the Society for Laboratory Automation and Screening (SLAS) are pleased to announce the second EU-OPENSCREEN/SLAS Joint Machine Learning Challenge, inviting scientists worldwide to pa...

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Igor Tetko @itetko.bsky.social · 24/10/2025

Visit of Prof. Yan ai-dd.eu/aixia partner of @aidd.bsky.social from Beijing University of Chemical Technology is always a big pleasure! After the lecture, I learned about recent student projects, had some delicious lunch and dinner at local restaurants, and also took a pleasant walk around Beijing!

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Reposted by Igor Tetko

AiChemist MSCA DN @aichemist.bsky.social · 16/10/2025

🚀 AiChemist is heading to #AIS25 in Copenhagen! Proud to represent #MSCA and share how AI is reshaping drug discovery. Our message: ✅ Bridge academia & industry ✅ Open, industry-relevant datasets ✅ Challenge-driven innovation 🔗 ais25.eu/about #AiChemist #AI #DrugDiscovery #HorizonEurope

ais25.eu

About

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Reposted by Igor Tetko

AiChemist MSCA DN @aichemist.bsky.social · 18/10/2025

@itetko.bsky.social gave a lecture on "Artificial Intelligence in Drug Development: Lessons from the @aidd.bsky.social and AiChemist Projects" to students at the Institute of Materia Medica, Chinese Academy of Medical Sciences icmm.ac.cn/yw/content_2... and announced EUOS25 ochem.eu/static/chall...

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Igor Tetko @itetko.bsky.social · 18/10/2025

An institutional retreat is always not only an important scientific event, where we can learn a lot about the work of our colleagues and discuss our plans and ideas for the future, but also a wonderful opportunity to spend time together during informal evenings and outings.

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Igor Tetko @itetko.bsky.social · 18/10/2025

EUROPIN Summer School on Drug Design by @univie.ac.at pharminfo.univie.ac.at/summerschool... had an excellent program covering different topics by leading speakers from academy and industry. I particularly enjoyed interactions with students and speakers as well as beautiful view of Schloss Schönburg

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Igor Tetko @itetko.bsky.social · 18/10/2025

#DataFest Yerevan datafest.am/2025 in Armenia was amazing! A fantastic scientific program, excellent speakers covering a wide range of topics in AI and ML, a highly motivated audience, excellent food and hotel, and stunning views of the city, Mount Ararat, and the ancient churches & temples nearby!

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Igor Tetko @itetko.bsky.social · 18/10/2025

AIDD workshop during #ICANN2025 conference at Kaunas organised by @e-nns.bsky.social was a great success. Following a keynote lecture by Dmitri Kireev chemistry.missouri.edu/people/kireev we had eight talks on various ML topics (see: link.springer.com/book/10.1007...). Poster session was also great.

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Igor Tetko @itetko.bsky.social · 28/09/2025

The trip to University of Tartu for Karl Marti Toots's doctoral dissertation defense was great. He answered questions confidently and demonstrated an excellent understanding of the material. Congratulations also to his supervisors, Uko Maran, Sulev Silda, and Jaan Leis! moltech.ut.ee/en/blog/karl...

Jaan Leis, Uko Maran, Karl Marti Toots, myself and Sulev Sild after the PhD defence

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Igor Tetko @itetko.bsky.social · 25/09/2025

I was pleased to participate in Vincenzo Palmacci's @aidd.bsky.social PhD defence ai-dd.eu/vincenzo He presented an interesting paper on computational strategies for combating assay interference in high-throughput screening (HTS). Congratulations to Vincenzo and best wishes for your postdoc at NIH!

ai-dd.eu

Vincenzo Palmacci | Advanced machine learning for Innovative Drug Discovery (AIDD)

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