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:929
Name:Propylene urea
Description:
Labels:
CAS:1852-17-1
InChi Code:InChI=1S/C4H8N2O/c7-4-5-2-1-3-6-4/h1-3H2,(H2,5,6,7)

Properties

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

ValueSource or prediction
nontoxic

experimental value

nontoxic

modelA: Model A (Training (under sampled))

nontoxic

modelA: Model A (Training (all))

nontoxic

modelB: Model B (Training (under sampled))

nontoxic

modelB: Model B (Training (all))

nontoxic

model_AB: model_AB (Training (under sampled))

nontoxic

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
> 1000

experimental value