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:810
Name:N-(2,6-difluorophenyl)-5-aminosulfonyl-1H-1,2,4-triazole-3-carboxylic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H6F2N4O4S/c10-4-2-1-3-5(11)6(4)15-9(20(12,18)19)13-7(14-15)8(16)17/h1-3H,(H,16,17)(H2,12,18,19)

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
0.03

experimental value