Chemistry & ADMET · Swanson et al., Stanford
52 ADMET endpoints in one call — hERG, BBB, CYP, clearance, solubility, Tox21.
1–30s
Runs on On-demand GPU
Runs on our servers with on-demand compute. A first run needs time to load the model; active capacity can be reused and scales down when idle.Run this model
About this model
The breadth is the value: absorption, distribution, metabolism, excretion and toxicity computed together, so you see the whole liability profile at once rather than discovering the hERG problem three months in. Each endpoint is a Chemprop D-MPNN ensemble trained on measured compounds from the Therapeutics Data Commons, and each result is reported next to where the molecule sits against approved drugs — which is the only practical way to read an endpoint you do not use daily. Send a series and you get a ranked comparison.
Standardized I/O contract
Every model in the Hub speaks the same contract, which is what lets the Router and the agent call any of them without special-casing.
Inputs
Ligand SMILES
Report
Outputs
All endpoints with predicted value and interpretation.
