10967/263 - QDB Compounds

QsarDB Repository

Kotli, M.; Piir, G.; Maran, U. Data-driven machine learning of chronic toxicity of imbalanced heterogeneous pesticide data to earthworms.

Compound

ID:833
Name:4-amino-2-(3-(4,6-dimethoxypyrimidin-2-yl)ureidosulfonyl)-N, N-dimethylbenzamide
Description:
Labels:
CAS:
InChi Code:InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-6-5-9(17)7-11(10)29(25,26)21-16(24)20-15-18-12(27-3)8-13(19-15)28-4/h5-8H,17H2,1-4H3,(H2,18,19,20,21,24)

Properties

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

ValueSource or prediction
toxic

experimental value

toxic

modelA: Model A (Training (under sampled))

toxic

modelA: Model A (Training (all))

nontoxic

modelB: Model B (Validation)

NOEC: chronic toxicity of No-Observed-Effect Concentration for earthworms as mg/kg in soil [mg/kg] i

ValueSource or prediction
56

experimental value