Cleaned dataset for PubChem AID 743077: qHTS assay of estrogen receptor alpha (ER-alpha) agonists

This dataset is derived from PubChem BioAssay AID 743077, titled "qHTS assay to identify small molecule agonists of the estrogen receptor alpha (ER-alpha) signaling pathway". The original assay is part of the Tox21 program and measures activation of estrogen receptor alpha (ER-alpha) signaling using a beta-lactamase reporter assay in HEK293 cells. Original dataset statistics: - Tested compounds: 8099 - Active (agonists): 438 - Inactive: 7303 Data preprocessing: - Removed duplicate entries based on compound identifiers. - Resolved conflicting labels by excluding compounds with inconsistent activity annotations. Final cleaned dataset: - Total compounds: 7315 - Positive (agonists): 348 - Negative (inactive): 6967