Cleaned dataset for PubChem AID 743078: qHTS assay of estrogen receptor alpha (ER-alpha) antagonists

This dataset is derived from PubChem BioAssay AID 743078, titled "qHTS assay to identify small molecule antagonists of the estrogen receptor alpha (ER-alpha) signaling pathway". The original assay is part of the Tox21 program and evaluates inhibition of estrogen receptor alpha (ER-alpha) signaling using a beta-lactamase reporter assay in HEK293 cells. Original dataset statistics: - Tested compounds: 8,099 - Active (antagonists): 433 - Inactive: 7,303 (approx. from assay summary) Data preprocessing: - Removed duplicate entries based on compound identifiers. - Resolved conflicting labels by excluding compounds with inconsistent activity annotations. Final cleaned dataset: - Total compounds: 6,329 - Positive (antagonists): 289 - Negative (inactive): 6,040