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:A33
Name:2',3',5',6'-tetrachlorobiphenyl-2-ol
Description:Supplementary information table S7 had wrong prediction value.
Labels:
CAS:
InChi Code:InChI=1S/C12H6Cl4O/c13-7-5-8(14)12(16)10(11(7)15)6-3-1-2-4-9(6)17/h1-5,17H

Properties

TR_activity: Thyroid receptor agonism

ValueSource or prediction
inactive

experimental value

active

LDA: LDA model (Training set)

active

LR: LR model (Training set)