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:3104
Name:2-(N-(2-Methyl-1-phenylprop-1-en-1-yl)-2-sulfoacetamido)acetic acid
Description:
Labels:
CAS:
InChi Code:InChI=1S/C14H17NO6S/c1-10(2)14(11-6-4-3-5-7-11)15(8-13(17)18)12(16)9-22(19,20)21/h3-7H,8-9H2,1-2H3,(H,17,18)(H,19,20,21)

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 (all))

toxic

modelB: Model B (Training (all))

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
60

experimental value