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:2801
Name:Methyl 2-((4-hydroxy-6-methoxypyrimidin-2-yl)amino)-6-(trifluoromethyl)nicotinate
Description:
Labels:
CAS:
InChi Code:InChI=1S/C13H11F3N4O4/c1-23-9-5-8(21)18-12(19-9)20-10-6(11(22)24-2)3-4-7(17-10)13(14,15)16/h3-5H,1-2H3,(H2,17,18,19,20,21)

Properties

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

ValueSource or prediction
100

experimental value