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:3237
Name:Dinocap 6
Description:
Labels:
CAS:875695-92-4
InChi Code:InChI=1S/C17H22N2O6/c1-3-5-6-7-8-10-13-11-14(18(21)22)12-15(19(23)24)17(13)25-16(20)9-4-2/h4,9,11-12H,3,5-8,10H2,1-2H3/b9-4+

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 (under sampled))

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
4.06

experimental value