Скачать или смотреть What’s New in Chemoinformatics? Quick Highlights from the SFCi Meeting (Paris, Dec 2025)

In December 2025, I had the pleasure to attend a chemoinformatics meeting in Paris, organized by the French Society of Chemoinformatics (or SFCi in French). Created in 2007, the SFCi promotes chemoinformatics as a discipline in its own right, at the interface of chemistry, informatics, data science, and artificial intelligence. In this short video, I don’t cover the entire meeting. Instead, I highlight a small selection of computational tools, especially those that are already open source and available, or expected to be released soon on GitHub or related platforms.

The tools introduced in this video: titles and authors
Spherical GTM: A New Proposition for Visualization of Chemical Data by Asgarkhanova, F., Gilles, M., Volkov, M., Muzard, M., Plantier-Royon, R., Rémond, C., Horvath, D., Varnek, A.

The Drug Discovery Software ANDROMEDA Illuminates Collaborative Research by Amélie BARCZYK, Clara DELEPINE, Julie JAOUEN, Romane RAISON, Minjeong CORNU-CHOI, Perrine SIX, Amaury FARCE, Nicolas RENAULT, Corentin BEDART.

Deterministic and Generative Approaches to Reverse-Engineering Molecular Fingerprints by Philippe Meyer, Thomas Duigou, Guillaume Gricourt, Jean-Loup Faulon.

Agentic Chemography: AI-Driven Exploration and Optimization of Ultra-Large Chemical Spaces by Orlov, A.A., Volkov, M.B., Plyer, L, Horvath, D., Varnek, A.

Code2Smell: Modeling Olfactory Perception through a Bio-inspired Model by Maxence Lalis, Matej Hladiš, Loïc Briand, Sebastien Fiorucci, Jérémie Topin.

A Comprehensive Protein-Ligand Binding Site Databank Derived from the Protein Data Bank 2025 by Dufay, L., Camproux, A-C.

ARIA-Dock: an Active Learning-Based Method for Drug Discovery by Ranieri, L., Villoutreix, B. O.

Protein Structure-Based Organic Chemistry-Driven Ligand Design from Ultralarge Chemical Spaces - SpaceDock by Sindt, F, Rognan, D.

🔗 Learn more about the SFCi - become a member: https://sfci.chimie.unistra.fr/
📩 For questions about the SFCi website, please contact Dr. Fanny Bonachera.

⏱️ Timestamps:
0:00 - Introduction
0:29 - The French Society of Chemoinformatics
2:13 - Back to the meeting, the keynote lectures
3:05 - Some selected tools
6:06 - Conclusion

🤖🎙️🌀 Narrated with Chatterbox TTS, an AI voice model built in Python and custom-tuned on my own voice, slightly robotic, occasionally confused, but always delivering real science stories❗Visuals generated using ChatGPT and Nano Banana.

#DrugDiscovery #ADMET #Cheminformatics