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ADMEProduction
Permeability
Models apparent permeability to support absorption and CNS penetration assessments during lead optimization.
Input
SMILES / molecular structure
Output
Papp class + continuous estimate (10⁻⁶ cm/s)
API
Available now
Architecture
Graph neural network
Example metrics
R² (demo)0.74
RMSE (demo)0.44 log units