10967/269 - QDB Compounds

QsarDB Repository

Akinola, L. K.; Uzairu, A.; Shallangwa, G. A.; Abechi, S. E. Development of binary classification models for grouping hydroxylated polychlorinated biphenyls into active and inactive thyroid hormone receptor agonists. SAR and QSAR in Environmental Research 2023, 34, 267–284.

Compound

ID:A66
Name:2',3',5,5',6'-pentachlorobiphenyl-2-ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H5Cl5O/c13-5-1-2-9(18)6(3-5)10-11(16)7(14)4-8(15)12(10)17/h1-4,18H

Properties

TR_activity: Thyroid receptor agonism

ValueSource or prediction
inactive

experimental value

active

LDA: LDA model (Test set)

active

LR: LR model (Test set)