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Main Author: Chavan, Swapnil
Format: Recurso digital
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Published: Zenodo 2026
Online Access:https://doi.org/10.5281/zenodo.20272007
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author Chavan, Swapnil
author_facet Chavan, Swapnil
contents <div>This dataset is derived from PubChem BioAssay AID 743066, titled "qHTS assay to identify small molecule agonists of the thyroid receptor (TR) signaling pathway".</div> <div> </div> <div> <div>The original assay is part of the Tox21 program and measures activation of thyroid receptor (TR) signaling using a reporter gene assay in a cell-based system. Specifically, TR activation was assessed using a luciferase reporter under the control of thyroid hormone response elements.</div> <div> </div> <div> <div>Original dataset statistics:</div> <div>- Tested compounds: 8,099 - Active (agonists): 58 - Inactive: 7,426</div> <div> </div> <div> <div>Data preprocessing:</div> <div>- Removed duplicate entries based on compound identifiers. - Resolved conflicting labels by excluding compounds with inconsistent activity annotations.</div> <div> </div> <div> <div>Final cleaned dataset:</div> <div>- Total compounds: 7,260 - Positive (agonists): 37 - Negative (inactive): 7,223</div> <div> </div> </div> </div> </div> </div>
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spellingShingle Cleaned dataset for PubChem AID 743066: qHTS assay of thyroid receptor (TR) agonists
Chavan, Swapnil
<div>This dataset is derived from PubChem BioAssay AID 743066, titled "qHTS assay to identify small molecule agonists of the thyroid receptor (TR) signaling pathway".</div> <div> </div> <div> <div>The original assay is part of the Tox21 program and measures activation of thyroid receptor (TR) signaling using a reporter gene assay in a cell-based system. Specifically, TR activation was assessed using a luciferase reporter under the control of thyroid hormone response elements.</div> <div> </div> <div> <div>Original dataset statistics:</div> <div>- Tested compounds: 8,099 - Active (agonists): 58 - Inactive: 7,426</div> <div> </div> <div> <div>Data preprocessing:</div> <div>- Removed duplicate entries based on compound identifiers. - Resolved conflicting labels by excluding compounds with inconsistent activity annotations.</div> <div> </div> <div> <div>Final cleaned dataset:</div> <div>- Total compounds: 7,260 - Positive (agonists): 37 - Negative (inactive): 7,223</div> <div> </div> </div> </div> </div> </div>
title Cleaned dataset for PubChem AID 743066: qHTS assay of thyroid receptor (TR) agonists
url https://doi.org/10.5281/zenodo.20272007