Halfway Through the OpenADMET CYP Challenge
The Heme-coming last dance begins: Interim leaderboard release & announcing a new Structure Track
Open-sourcing our blind challenge platform
Announcing the open-source release of our production-ready blind challenge infrastructure template, enabling anyone to spin up a molecular prediction competition in an afternoon.
Don’t Look Back in Error: What we learned predicting PXR induction (Part I)
Exploring the limits of ligand-based ML models in predicting PXR induction, based on key learnings from our recent blind challenge.
It’s the End of the PXR Challenge as We Know It (and I feel fine)
Announcing the results of the PXR Blind Challenge — and the public release of the largest high-quality PXR induction dataset ever made available, with over 11,000 compounds.
Woah, we’re halfway there…
We're halfway through the PXR Blind Challenge: unblinding the first data, freezing the leaderboard, and stepping into Phase 2 — plus a look at the response so far and what's next.
Peak Performance or Just Noise?
Benchmarks are everywhere in ML — but when is a leaderboard gap real? Jon Swain on the statistics of comparing blind challenge entries and separating genuine performance from noise.
Predicting PXR Induction - We have liftoff
Launch details for the PXR induction challenge, including the dataset, rules, and practical guidance for participants.
Lessons Learned from the OpenADMET-ExpansionRx Blind Challenge: Can We Trust Zero-Shot ADMET Predictions?
Lessons and reflections from the OpenADMET-ExpansionRx blind challenge — evaluating whether zero-shot ADMET predictions can be trusted in real drug discovery settings.
Announcing the next OpenADMET Blind Challenge: Predicting PXR Induction
An introduction to the next blind challenge and why blinded datasets remain important for realistic benchmarking.
Lessons Learned from the OpenADMET - ExpansionRx Blind Challenge
Authors: Maria Castellanos, Hugo MacDermott-Opeskin, Jon Ainsley, Pat Walters DOI: 10.5281/zenodo.21784567 The ExpansionRx challenge, launched on October 27, 2025, closed two
The OpenADMET - ExpansionRx Blind Challenge has Come to an End
Authors: Maria Castellanos, Hugo MacDermott-Opeskin DOI: 10.5281/zenodo.21784497 Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties can make or break the preclinical
OpenADMET - ExpansionRx Blind Challenge Intermediate Leaderboard
Intermediate leaderboard release Authors: Maria Castellanos, Hugo MacDermott-Opeskin DOI: 10.5281/zenodo.21784394. Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties can make or