HIA (Human Intestinal Absorption), Hou et al.

Dataset Description

When a drug is orally administered, it needs to be absorbed from the human gastrointestinal system into the bloodstream of the human body. This ability of absorption is called human intestinal absorption (HIA) and it is crucial for a drug to be delivered to the target.

Task Description

Binary classification. Given a drug SMILES string, predict the activity of HIA.

Usage Example

from tdc_ml.single_pred import ADME

data = ADME(name='HIA_Hou')

# Access the data
df = data.get_data()
print(df.head())

# Get train/val/test splits
split = data.get_split()
print(split)

References

• [1] Hou T et al. ADME evaluation in drug discovery. 7. Prediction of oral absorption by correlation and classification. J Chem Inf Model. 2007;47(1):208-218.