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: | A42 | |
|---|---|---|
| Name: | 3,5-dichlorobiphenyl-4-ol | |
| Description: | Supplementary information table S7 had wrong prediction value. | |
| Labels: | ||
| CAS: | ||
| InChi Code: | InChI=1S/C12H8Cl2O/c13-10-6-9(7-11(14)12(10)15)8-4-2-1-3-5-8/h1-7,15H |
Properties
TR_activity: Thyroid receptor agonism
| Value | Source or prediction |
|---|---|
| inactive |
experimental value |
| active |
LDA: LDA model (Training set) |
| inactive |
LR: LR model (Training set) |