10967/236 - QDB Compounds

QsarDB Repository

Piir, G.; Sild, S.; Maran, U. Binary and multi-class classification for androgen receptor agonists, antagonists and binders. Chemosphere 2021, 262, 128313.

Compound

ID:e4968
Name:Chloranil
Description:
Labels:
CAS:118-75-2
InChi Code:InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11

Properties

Antagonists: Activity in AR antagonist pathway

ValueSource or prediction
antagonist

experimental value

inactive

Antagonists_model: Antagonist model (Evaluation set)

Binders: Activity in androgen receptor

ValueSource or prediction
binder

experimental value

inactive

Binders_model: Binding model (Evaluation set)

MultiClass: Activity in AR agonist and antagonist pathway

ValueSource or prediction
antagonist

experimental value

antagonist

MultiClass_model: Multi-Class model (Evaluation set)