Bioavailability, Ma et al.

Dataset Description

Oral bioavailability is defined as “the rate and extent to which the active ingredient or active moiety is absorbed from a drug product and becomes available at the site of action”.

Task Description

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

Usage Example

from tdc_ml.single_pred import ADME

data = ADME(name='Bioavailability_Ma')

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

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

References

• [1] Ma, Chang-Ying, et al. “Prediction models of human plasma protein binding rate and oral bioavailability derived by using GA–CG–SVM method.” Journal of pharmaceutical and biomedical analysis 47.4-5 (2008): 677-682.