PPBR (Plasma Protein Binding Rate), AstraZeneca

Dataset Description

The human plasma protein binding rate (PPBR) is expressed as the percentage of a drug bound to plasma proteins in the blood. This rate strongly affects a drug's efficiency of delivery. The less bound a drug is, the more efficiently it can traverse and diffuse to the site of actions. From a ChEMBL assay deposited by AstraZeneca.

Task Description

Regression. Given a drug SMILES string, predict the rate of PPBR.

Usage Example

from tdc_ml.single_pred import ADME

data = ADME(name='PPBR_AZ')

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

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

References

• [1] AstraZeneca. Experimental in vitro Dmpk and physicochemical data on a set of publicly disclosed compounds (2016)