src/constants.py

TARGET_NAMES = [
    "NR-AhR",
    "NR-AR",
    "NR-AR-LBD",
    "NR-Aromatase",
    "NR-ER",
    "NR-ER-LBD",
    "NR-PPAR-gamma",
    "SR-ARE",
    "SR-ATAD5",
    "SR-HSE",
    "SR-MMP",
    "SR-p53",
]

CANONICAL_SMILES_COLUMN = "canonical_smiles"