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:824
Name:1-(4,6-dimethoxypyrimidine-2-yl)-2,4-diketo-7-trifluoro-methyl-1,2,3,4-tetrahydropyridol(2,3-d)pyrimidine
Description:
Labels:
CAS:
InChi Code:InChI=1S/C12H6F3N5O4/c13-12(14,15)5-2-1-4-8(16-5)20(11(24)19-9(4)23)10-17-6(21)3-7(22)18-10/h1-3H,(H,19,23,24)(H2,17,18,21,22)

Properties

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

ValueSource or prediction
nontoxic

experimental value

nontoxic

modelA: Model A (Test)

nontoxic

modelB: Model B (Test)

nontoxic

model_AB: model_AB (Test)

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

ValueSource or prediction
100

experimental value