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:e148
Name:2,4,4'-Trihydroxybenzophenone
Description:
Labels:
CAS:1470-79-7
InChi Code:InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H

Properties

Agonists: Activity in AR agonist pathway

ValueSource or prediction
agonist

experimental value

inactive

Agonists_model: Agonist model (Evaluation set)

Binders: Activity in androgen receptor

ValueSource or prediction
binder

experimental value

binder

Binders_model: Binding model (Evaluation set)

MultiClass: Activity in AR agonist and antagonist pathway

ValueSource or prediction
agonist

experimental value

inactive

MultiClass_model: Multi-Class model (Evaluation set)