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:3162
Name:1-(5-chloro-4-hydroxy-6-methoxypyrimidin-2-yl)-3-mesyl(methyl)sulfamoylurea
Description:
Labels:
CAS:
InChi Code:InChI=1S/C8H12ClN5O7S2/c1-10-23(19,20)14(8(16)13-22(3,17)18)7-11-5(15)4(9)6(12-7)21-2/h10H,1-3H3,(H,13,16)(H,11,12,15)

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
=> 898

experimental value