Francesca Grisoni
Associate Prof | AI for drug discovery | Eindhoven University of Technology | Previously ETH Zurich & UniMiB | she/her 🏳️🌈
- Reposted by Francesca GrisoniInteresting talk by @fragrisoni.bsky.social at #ChemBioPhys2025. She talked about her group's exciting research into exploring the vast chemical space for #DrugDiscovery using #ArtificialIntelligence in low-data scenarios. www.nature.com/articles/s43... #ChemBio #ChemSky
- Reposted by Francesca GrisoniIn addition, the workshop will host the annual meeting of the ELLIS Program on Machine Learning for Molecule Discovery, fostering interdisciplinary dialogue and shaping the next phase of molecular AI research. Organizers: 🔸 Nadine Schneider 🔸 @fragrisoni.bsky.social 🔸 José Miguel Hernández Lobato
- Reposted by Francesca GrisoniDream Reactions Symposium – Wrap-Up Part I ✨ Our speakers are truly passionate about driving towards a positive change! 🌍 Special congratulations to @fragrisoni.bsky.social, the very first recipient of the Green Dream Reactions Award!! 🏆👏 #DreamReactions#Sustainability
- Reposted by Francesca GrisoniIt is a great pleasure to share that our extensive review on "The Chemistry and Biology of the Tetrodotoxin Natural Product Family" has been accepted for publication at Angewandte Chemie: doi.org/10.1002/anie....
- Reposted by Francesca GrisoniVery much looking forward to the ChemBioChem and ChemPhysChem symposium "Advances in Structural Analysis of Biomolecules" in Berlin on October 23rd and 24th. If you are interested in the field, check out this conference: www.cbc-cpc2025.org (1/2)
- Reposted by Francesca GrisoniKeynotes: @machine.learning.bio Christian Dallago, Duke University, US @delafuentelab.bsky.social Cesar de la Fuente, UPenn, US @fragrisoni.bsky.social Francesca Grisoni - TU/e, NL Birte Hoecker, Bayeruth University, DE
- Reposted by Francesca Grisoni🧫Now in Bioinformatics Advances: "peptidy: A light-weight Python library for peptide representation in machine learning" Find it here: doi.org/10.1093/bioadv/vbaf058 Authors include: @fragrisoni.bsky.social
- Reposted by Francesca GrisoniWe just preprinted a fresh study on molecular machine learning on OOD molecules 🧠 Using joint modeling, we could detect distribution shifts, estimate prediction reliability, and capture meaningful molecular patterns! doi.org/10.26434/che... #AI #chemistry
- Reposted by Francesca GrisoniVery much looking forward to the 25th anniversary symposium of ChemBioChem and ChemPhysChem #CBCCPC2025 in Berlin on October 23rd and 24th, 2025. There is an ever growing list of amazing speakers confirmed for this event. (1/2) #chemsky #ChemBio @chemistryeurope.bsky.social www.cbc-cpc2025.org
- Reposted by Francesca GrisoniWorking on #explainable #AI #ML for #chemistry and #materials? Then join us at the special track #xAI 2025 in Istanbul this July and submit your paper by Feb 28! xaiworldconference.com/2025/explain... Co-organised with @fragrisoni.bsky.social Pascal Friederich, Geemi Wellawatte etc.
- Reposted by Francesca GrisoniVery excited to share our review on "The Chemistry and Biology of the Tetrodotoxin Natural Product Family", where we discuss their potential for the development of analgesics, structure-activity relationships on NaV channels, biosynthetic hypotheses and chemical syntheses: tinyurl.com/ye6nwnwu.
- Reposted by Francesca GrisoniEffectiveness of molecular fingerprints for exploring the chemical space of natural products - published in jcheminf. Thanks to all the co-authors involved for this nice collaboration ! @molecularML @MiChemQSAR @fragrisoni.bsky.social jcheminf.biomedcentral.com/articles/10....
- Reposted by Francesca GrisoniGoing beyond SMILES enumeration for generative deep learning in low data regimes | ChemRxiv - doi.org/10.26434/che... #compchem
- If you use generative #DeepLearning for molecule design, check out our latest work, where we perform a large scale analysis (~1 B designs!) and find ‘traps’, ‘treasures’ and ‘ways out’ in the jungle of generative drug discovery. 🌴 🐒 Paper: arxiv.org/abs/2501.05457 Code: github.com/molML/jungle...
- Open #postdoc position in *Organic/Medicinal Chemistry* for generative #AI in Drug Discovery — join us @tueindhoven.bsky.social 💪🏻 Funded by the European Research Council (ERC). Deadline: Jan 15, 25 jobs.tue.nl/nl/vacature/... Repost appreciated!
- Please note that applications submitted via email and not through the dedicated portal will not be considered.
- Reposted by Francesca GrisoniThe surprising ineffectiveness of molecular dynamics coordinates for predicting bioactivity with machine learning Authors: Emanuele Criscuolo, Rıza Özçelik, Derek van Tilborg, Francesca Grisoni DOI: 10.26434/chemrxiv-2024-rp81v
- Reposted by Francesca GrisoniAutomated navigation of condensate phase behavior with active machine learning Authors: Yannick Leurs, Willem van den Hout, Andrea Gardin, Joost van Dongen, Jan van Hest, Francesca Grisoni, Luc Brunsveld DOI: 10.26434/chemrxiv-2024-frnj3
- Reposted by Francesca GrisoniOpen postdoc position available in my group in AI-assisted molecular simulations: rug.nl/about-ug/work-with-… #aichem
- Reposted by Francesca GrisoniThanks @fragrisoni.bsky.social for a great talk at the University of Amsterdam! Learned a lot about how to apply AI effectively to molecular structure generation. Strong start to the #ChemAI events this week
- Reposted by Francesca GrisoniFresh off the presses: In "Learning on compressed molecular representations" Jan Weinreich and I looked into whether GZIP performed better than Neural Networks in chemical machine learning tasks. Yes, you've read that right. TL;DR: Yes, GZIP can perform better than baseline GNNs and MLPs. It can ..
