All models
CYPProduction
CYP Inhibition
Estimates the likelihood that a compound inhibits key cytochrome P450 isoforms (3A4, 2D6, 2C9, 2C19, 1A2), flagging drug-drug interaction liability early in discovery.
Input
SMILES / molecular structure
Output
Per-isoform inhibition probability + confidence interval
API
Available now
Architecture
Graph neural network ensemble
Example metrics
AUROC (demo)0.91
Calibration (demo)0.03 ECE