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:A58
Name:3,3',6-trichlorobiphenyl-2-ol
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H7Cl3O/c13-8-3-1-2-7(6-8)11-9(14)4-5-10(15)12(11)16/h1-6,16H

Properties

TR_activity: Thyroid receptor agonism

ValueSource or prediction
inactive

experimental value

active

LDA: LDA model (Training set)

active

LR: LR model (Training set)