10967/263 - QDB Compounds

QsarDB Repository

Kotli, M.; Piir, G.; Maran, U. Predictive Modeling of Pesticides Reproductive Toxicity in Earthworms Using Interpretable Machine-Learning Techniques on Imbalanced Data. ACS Omega 2025, 10, 4732–4744.

Compound

ID:843
Name:4-(3-chloro-5-trifluoromethyl-2-pyridyloxyphenol)
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H7ClF3NO2/c13-10-5-7(12(14,15)16)6-17-11(10)19-9-3-1-8(18)2-4-9/h1-6,18H

Properties

NOEC_class: reproductive toxicity class of No-Observed-Effect Concentration for earthworms i

ValueSource or prediction
toxic

experimental value

toxic

modelA: Model A (Training (all))

toxic

modelB: Model B (Training (all))

toxic

model_AB: model_AB (Training (all))

NOEC: reproductive toxicity of No-Observed-Effect Concentration for earthworms as mg/kg in soil [mg/kg] i

ValueSource or prediction
0.3

experimental value