All models
PKBeta
PK Parameter Prediction
A unified multi-task model producing clearance, Vd, half-life, and exposure parameters from a single molecular input, with cross-parameter consistency constraints.
Input
SMILES + species + dose route
Output
CL, Vss, t½, Cmax, AUC — joint posterior estimates
API
Coming soon
Architecture
Multi-task graph transformer + PK priors
Example metrics
Avg. R² (demo)0.70
Calibration (demo)0.05 ECE