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:2607
Name:N-tert-butyl-N-(3,5-dimethylbenzoyl)-4-hydroxy-5-methyl-6-chromancarbohydrazide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C24H30N2O4/c1-14-11-15(2)13-17(12-14)23(29)26(24(4,5)6)25-22(28)18-7-8-20-21(16(18)3)19(27)9-10-30-20/h7-8,11-13,19,27H,9-10H2,1-6H3,(H,25,28)

Properties

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

ValueSource or prediction
nontoxic

experimental value

nontoxic

modelA: Model A (Training (under sampled))

nontoxic

modelA: Model A (Training (all))

nontoxic

modelB: Model B (Training (under sampled))

nontoxic

modelB: Model B (Training (all))

nontoxic

model_AB: model_AB (Training (under sampled))

nontoxic

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
> 1000

experimental value