Blind Challenges
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.
OpenADMET
Models
A Hot, Fresh, & New Clearance Model
A look at OpenADMET's clearance modeling work and the broader challenge of generalizing across chemical space.
Data
Building the OpenADMET Data Engine
A behind-the-scenes look at the infrastructure and strategy required to generate useful ADMET datasets at scale.
Blind Challenges
Lessons Learned from the OpenADMET - ExpansionRx Blind Challenge
Maria Castellanos Hugo MacDermott-Opeskin Jon Ainsley Pat Walters The ExpansionRx challenge, launched on October 27, 2025, closed two weeks ago! We are extremely grateful to everyone who participated and made this incredible learning experience possible for the ML and ADMET communities. After releasing the final leaderboard in our previous
Blind Challenges
The OpenADMET - ExpansionRx Blind Challenge has Come to an End
Maria Castellanos Hugo MacDermott-Opeskin Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties can make or break the preclinical and clinical development of small molecules. At OpenADMET we aim to address the unpredictable nature of these properties through open science, generating high-quality experimental data and building robust predictive models
Models
OpenADMET's Inaugural Model Release
OpenADMET's first public model release — predictive models for key ADMET properties, built on open data and designed for the drug discovery community.
Blind Challenges
OpenADMET - ExpansionRx Blind Challenge
Intermediate leaderboard release Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties can make or break the preclinical and clinical development of small molecules. At OpenADMET we address the unpredictable nature of these properties through open science, generating experimental data and building predictive models of ADMET properties. A key component of
Models
Concerning Uncertainty
How do you know what you don't know? A deep dive into uncertainty quantification for ADMET predictions and why it matters for drug discovery decision-making.
Blind Challenges
Announcement 2: ExpansionRx - OpenADMET Blind Challenge
Additional details on the coming challenge Absorption, Distribution, Metabolism, Excretion and Toxicity–ADMET–properties can make or break preclinical and clinical development of small molecules. At OpenADMET we address the unpredictable nature of these properties through open science, generating experimental data and building predictive models of ADMET properties. A key
Blind Challenges
Announcement 1: ExpansionRx-OpenADMET Blind Challenge
Small molecules continue to be the bricks and mortar of drug discovery globally, accounting for ~75% of FDA approvals over the last decade. Oral bioavailability, easily tunable properties, modulation of a wide range of mechanisms, and ease of manufacturing make small molecules highly attractive as therapeutic agents. Moreover, emerging small
General
Time For a New Adventure
Author: Pat Walters, Chief Scientist, OpenADMET Originally published on Practical Cheminformatics. Starting today, September 15, 2025, I will assume a new role as Chief Scientist at OpenADMET, an open science initiative that combines high-throughput experimentation, computation, and structural biology to enhance the understanding and prediction of absorption, distribution, metabolism,
General
What is OpenADMET?
Small molecule therapies have always been and continue to be the dominant way we treat diseases worldwide. Small molecules have unique advantages such as cost, scalability, convenience, the ability to get into every organ/cell and modulate a wide variety of targets/mechanisms – especially as compared to other modalities like