10967/258 - QDB Compounds

QsarDB Repository

Kotli, M.; Piir, G.; Maran, U. Pesticide effect on earthworm lethality via interpretable machine learning. J. Hazard Mater. 2023, 461, 132577

Compound

ID:804.T
Name:1-(4,6-dimethoxypyrimidin-2-yl)-1-(3-trifluoromethyl-2-pyridyl)urea
Description:
Labels:
CAS:
InChi Code:InChI=1S/C13H12F3N5O3/c1-23-8-6-9(24-2)20-12(19-8)21(11(17)22)10-7(13(14,15)16)4-3-5-18-10/h3-6H,1-2H3,(H2,17,22)

Properties

toxicity_class: Acute toxicity to earthworm [mg/kg] i

ValueSource or prediction
nontoxic

experimental value

nontoxic

rf: Random Forest (toxicity_class.train)

nontoxic

rf: Random Forest (toxicity_class.oob)