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:919.T
Name:8-(2,6-diethyl-4-methylphenyl)-8-hydroxy-hexahydro-1H-pyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione
Description:
Labels:
CAS:
InChi Code:InChI=1S/C18H24N2O4/c1-4-13-10-12(3)11-14(5-2)15(13)18(23)16(21)19-6-8-24-9-7-20(19)17(18)22/h10-11,23H,4-9H2,1-3H3

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)