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:1072
Name:1-ethyl 5,6-di-2,4(1H,3H)pyridenedione
Description:
Labels:
CAS:71342-66-0
InChi Code:InChI=1S/C7H10N4O3/c1-3-11-5(8)4(10-14-2)6(12)9-7(11)13/h8H,3H2,1-2H3,(H,9,12,13)/b8-5?,10-4+

Properties

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

ValueSource or prediction
nontoxic

experimental value

nontoxic

modelA: Model A (Validation)

nontoxic

modelB: Model B (Training (under sampled))

nontoxic

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
250

experimental value