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.
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.
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.
Launch details for the PXR induction challenge, including the dataset, rules, and practical guidance for participants.
Lessons and reflections from the OpenADMET-ExpansionRx blind challenge — evaluating whether zero-shot ADMET predictions can be trusted in real drug discovery settings.
An introduction to the next blind challenge and why blinded datasets remain important for realistic benchmarking.
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
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
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
Authors: Hugo MacDermott-Opeskin, Maria Castellanos DOI: 10.5281/zenodo.21784247 Additional details on the coming challenge Absorption, Distribution, Metabolism, Excretion and Toxicity–ADMET–properties
Authors: Hugo MacDermott-Opeskin, Maria Castellanos DOI:10.5281/zenodo.21784074 Small molecules continue to be the bricks and mortar of drug discovery globally, accounting