BBB Permeability Predictor

Blood-Brain Barrier Permeability Prediction using Conformal Prediction

Input SMILES

Try these examples:

Original Structure

Original Molecule

ChEMBL Standardized Structure

Reconciled Molecule

BBB Permeability Predictions

Conformal prediction significance scores (higher = more likely)

BBB Non-Permeable (BBB-)
BBB Permeable (BBB+)