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:e3104
Name:3-Methylbenzonitrile
Description:
Labels:
CAS:620-22-4
InChi Code:InChI=1S/C8H7N/c1-7-3-2-4-8(5-7)6-9/h2-5H,1H3
Properties

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)