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:2527
Name:5-(1-(S-methylsulfonimidoyl)ethyl)-2-(trifluoromethyl)pyridine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C9H11F3N2OS/c1-6(16(2,13)15)7-3-4-8(14-5-7)9(10,11)12/h3-6,13H,1-2H3

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 (Validation)

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

ValueSource or prediction
10

experimental value