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:955
Name:N-(3-(ethylsulfonyl)-2-pyridinyl)-4,6-dimethyoxy-2-pyrimidinamine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C13H16N4O4S/c1-4-22(18,19)9-6-5-7-14-12(9)17-13-15-10(20-2)8-11(16-13)21-3/h5-8H,4H2,1-3H3,(H,14,15,16,17)

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))

toxic

modelB: Model B (Training (under sampled))

toxic

modelB: Model B (Training (all))

toxic

model_AB: model_AB (Training (under sampled))

toxic

model_AB: model_AB (Training (all))

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

ValueSource or prediction
0.18

experimental value