"""
Dataclass for handling the calculated compound-target pair dataset
and related data.
"""
from dataclasses import dataclass
import pandas as pd
[docs]
@dataclass
class Dataset:
"""
Calculated compound-target pairs dataset (df_results) and related data.
- df_result: Pandas DataFrame with the full dataset
- drug_mechanism_pairs_set: Set of compound-target pairs in the drug_mechanism table, \
used for DTI assignments
- drug_mechanism_targets_set: Set of targets in the drug_mechanism table, \
used for DTI assigments
- df_sizes_all: Pandas DataFrame of intermediate sizes of the dataset, \
used for debugging
- df_sizes_pchembl: Pandas DataFrame of intermediate sizes of the dataset, \
restricted to entries with a pchembl value, \
used for debugging
"""
df_result: pd.DataFrame
drug_mechanism_pairs_set: set
drug_mechanism_targets_set: set
df_sizes_all: pd.DataFrame
df_sizes_pchembl: pd.DataFrame