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:3079
Name:Benalaxyl acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C19H21NO3/c1-13-8-7-9-14(2)18(13)20(15(3)19(22)23)17(21)12-16-10-5-4-6-11-16/h4-11,15H,12H2,1-3H3,(H,22,23)

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
8.35

experimental value