Data - OpenADMET

Data · May 27, 2026

Navigating PXR Chemical Space with High-Throughput Chemistry and Standard-Free Quantification

With Octant, we use direct-to-biology high-throughput chemistry and standard-free quantification to explore PXR chemical space far beyond commercial libraries, part of OpenADMET's effort to map the Avoidome.

Pregnane X Receptor PDB structure re-refinement

Improving 66 Pregnane X Receptor structures from the Protein Data Bank using modern refinement protocols to enhance ligand model quality.

Building the OpenADMET Data Engine

A behind-the-scenes look at the infrastructure and strategy required to generate useful ADMET datasets at scale.