10967/259 - QDB Compounds

QsarDB Repository

Piir, G.; Sild, S.; Maran, U. Interpretable machine learning for the identification of estrogen receptor agonists, antagonists, and binders. Chemosphere 2024, 347, 140671.
Compound
ID:e3699
Name:Ethyl dichlorophosphate
Description:
Labels:
CAS:1498-51-7
InChi Code:InChI=1S/C2H5Cl2O2P/c1-2-6-7(3,4)5/h2H2,1H3
Properties

er_ago: Activity in ER agonist pathway

ValueSource or prediction
inactive

experimental value
inactive

Tab3.agonists: Model for ER activity on agonists pathway (Evaluation set)

er_ant: Activity in ER antagonist pathway

ValueSource or prediction
inactive

experimental value
inactive

Tab3.antagonists: Model for ER activity on antagonists pathway (Evaluation set)

er_bin: Binding activity in estrogen receptor

ValueSource or prediction
inactive

experimental value
inactive

Tab3.binders: Model for binding in ER (Evaluation set)