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:708
Name:1,2,4-triazole
Description:
Labels:
CAS:288-88-0
InChi Code:InChI=1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)

Properties

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

ValueSource or prediction
toxic

experimental value

nontoxic

modelA: Model A (Validation)

toxic

modelB: Model B (Training (under sampled))

toxic

modelB: Model B (Training (all))

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

ValueSource or prediction
0.071

experimental value