Cleaned dataset for PubChem AID 743067: qHTS assay of thyroid receptor (TR) antagonists

This dataset is derived from PubChem BioAssay AID 743067, titled "qHTS assay to identify small molecule antagonists of the thyroid receptor (TR) signaling pathway". The original assay is part of the Tox21 program and evaluates inhibition of thyroid receptor (TR) signaling using a reporter gene assay in a cell-based system. TR activity was measured using a luciferase reporter controlled by thyroid hormone response elements. Original dataset statistics: - Tested compounds: 8,099 - Active (antagonists): 378 - Inactive: 5,631 Data preprocessing: - Removed duplicate entries based on compound identifiers. - Resolved conflicting labels by excluding compounds with inconsistent activity annotations. Final cleaned dataset: - Total compounds: 5,590 - Positive (antagonists): 261 - Negative (inactive): 5,329