USPTO

Dataset Description

TDC parses the yields outcome from the full USPTO (United States Patent and Trademark Office) dataset.

Task Description

Given reactant and product set X, predict the yields Y.

Usage Example

from tdc_ml.single_pred import Yields

data = Yields(name='USPTO')

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

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

References

• [1] Lowe, Daniel Mark. Extraction of chemical structures and reactions from the literature. Diss. University of Cambridge, 2012.